Abyssinol C
TL;DR: Abyssinol C (CAS 96819-79-3) is a chemical compound with molecular formula C29H34O10 and molecular weight 542.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Abyssinol C, 1,3-Bis(acetyloxy)-5-hydroxy-15-methoxy-16,19-dioxobufa-14,20,22-trienolide, [(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, [(1R,3S,5S,8R,9S,10R,13R,17S)-3-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate, 1beta,3beta-Bis(acetyloxy)-5-hydroxy-15-methoxy-16,19-dioxo-5beta-bufa-14,20,22-trienolide
| Molecular Formula | C29H34O10 |
|---|---|
| Molecular Weight | 542.22 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.2152 |
| Heavy Atoms | 39 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 96819-79-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@H]([C@@]2([C@H]3CC[C@@]4([C@H](C(=O)C(=C4[C@@H]3CC[C@@]2(C1)O)OC)C5=COC(=O)C=C5)C)C=O)OC(=O)C |
| InChIKey | ZHJLYWYOQBYSDP-NMWNSSENSA-N |
Product Overview
Abyssinol C (CAS 96819-79-3), with molecular formula C29H34O10 and molecular weight 542.22 g/mol. IUPAC: [(1R,3S,5S,8R,9S,10R,13R,17S)-1-acetyloxy-10-formyl-5-hydroxy-15-methoxy-13-methyl-16-oxo-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Abyssinol C
Property Insights of Abyssinol C
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abyssinol C. The TPSA of 143.0 Ų indicates high polarity, suggesting Abyssinol C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abyssinol C has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abyssinol C?
The CAS number of Abyssinol C is 96819-79-3.
What is the molecular formula of Abyssinol C?
The molecular formula of Abyssinol C is C29H34O10.
What is the molecular weight of Abyssinol C?
The molecular weight of Abyssinol C is 542.22 g/mol.
Where can I buy Abyssinol C?
You can request a quote for Abyssinol C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abyssinol C?
Yes, KEHONG BIO provides custom synthesis services for Abyssinol C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.