Glaucarubol 15-isovalerate
TL;DR: Glaucarubol 15-isovalerate (CAS 29428-64-6) is a chemical compound with molecular formula C25H36O9 and molecular weight 480.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate
Also Known As: Glaucarubol-15-isovalerate, Glaucarubol 15-isovalerate, Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(3-methyl-1-oxobutoxy)-, Isovaleric acid, 4-ester with 1,2,3,3a-beta,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-alpha,2-alpha,4-beta,10-alpha,11-beta-pentahydroxy-3-alpha,8,11a-beta-trimethyl-5H-1,11c-beta-(epoxymethano)phenanthro(10,1-bc)pyran-5-one, (1S,2R,3R,3aR,4R,6aR,7aS,10S,11S,11aS,11bS)-1,2,10,11-Tetrahydroxy-3,8,11a-trimethyl-5-oxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-4-yl 3-methylbutanoate
| Molecular Formula | C25H36O9 |
|---|---|
| Molecular Weight | 480.24 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.23593 |
| Heavy Atoms | 34 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 29428-64-6 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3C24[C@@H]([C@@]5([C@@H](C3)C(=C[C@@H]([C@H]5O)O)C)C)[C@@]([C@@H]1O)(CO4)O)OC(=O)CC(C)C |
| InChIKey | GMYKJSSPAJVBRH-ONAYGAPCSA-N |
Product Overview
Glaucarubol 15-isovalerate (CAS 29428-64-6), with molecular formula C25H36O9 and molecular weight 480.24 g/mol. IUPAC: [(4S,5R,6R,7R,8R,11R,13S,16S,17S,18S,19S)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate.
Chemical Property Profile of Glaucarubol 15-isovalerate
Property Insights of Glaucarubol 15-isovalerate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glaucarubol 15-isovalerate. The TPSA of 143.0 Ų indicates high polarity, suggesting Glaucarubol 15-isovalerate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glaucarubol 15-isovalerate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glaucarubol 15-isovalerate?
The CAS number of Glaucarubol 15-isovalerate is 29428-64-6.
What is the molecular formula of Glaucarubol 15-isovalerate?
The molecular formula of Glaucarubol 15-isovalerate is C25H36O9.
What is the molecular weight of Glaucarubol 15-isovalerate?
The molecular weight of Glaucarubol 15-isovalerate is 480.24 g/mol.
Where can I buy Glaucarubol 15-isovalerate?
You can request a quote for Glaucarubol 15-isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glaucarubol 15-isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Glaucarubol 15-isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.