Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester
TL;DR: Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester (CAS 800385-91-5) is a chemical compound with molecular formula C32H50O8 and molecular weight 562.35 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)-1,6-dihydroxy-8-(hydroxymethyl)-14-(methoxymethoxy)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate, [dihydroxy-(hydroxymethyl)-(methoxymethoxy)-tetramethyl-oxo-[?]yl] decanoate, [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-14-(methoxymethoxy)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate, Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
| Molecular Formula | C32H50O8 |
|---|---|
| Molecular Weight | 562.35 g/mol |
| LogP | 4.2499 |
| Topological Polar Surface Area | 122.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 562.3506 |
| Heavy Atoms | 40 |
| Complexity | 1031.9329 |
Chemical Identifiers
| CAS Number | 800385-91-5 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OCOC)C)O)C=C(C4=O)C)O)CO |
Product Overview
Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester (CAS 800385-91-5), with molecular formula C32H50O8 and molecular weight 562.35 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-14-(methoxymethoxy)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester
Property Insights of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester
The XLogP value of 4.2499 indicates that Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester. Following Lipinski's Rule of Five, Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester?
The CAS number of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester is 800385-91-5.
What is the molecular formula of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester?
The molecular formula of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester is C32H50O8.
What is the molecular weight of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester?
The molecular weight of Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester is 562.35 g/mol.
Where can I buy Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester?
You can request a quote for Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,9,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-E)azulen-9a-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.