9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)
TL;DR: 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) (CAS 87000-09-7) is a chemical compound with molecular formula C45H66O9 and molecular weight 750.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,14R,15R)-6-acetyloxy-1,13-dihydroxy-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9Z,12Z)-octadeca-9,12-dienoate
Also Known As: 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3- (hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate), 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)
| Molecular Formula | C45H66O9 |
|---|---|
| Molecular Weight | 750.47 g/mol |
| LogP | 8.3824 |
| Topological Polar Surface Area | 136.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 750.4707 |
| Heavy Atoms | 54 |
| Complexity | 1547.0001 |
Chemical Identifiers
| CAS Number | 87000-09-7 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@](C3(C)C)([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@]4(C1)OC(=O)C)C)O)C)OC(=O)/C(=C/C)/C)O |
Product Overview
9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) (CAS 87000-09-7), with molecular formula C45H66O9 and molecular weight 750.47 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-6-acetyloxy-1,13-dihydroxy-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9Z,12Z)-octadeca-9,12-dienoate.
Chemical Property Profile of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)
Property Insights of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)
The XLogP value of 8.3824 indicates that 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate). Following Lipinski's Rule of Five, 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)?
The CAS number of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) is 87000-09-7.
What is the molecular formula of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)?
The molecular formula of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) is C45H66O9.
What is the molecular weight of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)?
The molecular weight of 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) is 750.47 g/mol.
Where can I buy 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)?
You can request a quote for 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate)?
Yes, KEHONG BIO provides custom synthesis services for 9,12-Octadecadienoic acid (Z,Z)-, monoester with(1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monoacetate mono((E)-2-methyl-2-butenoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.