3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
TL;DR: 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide (CAS 14155-65-8) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Alloglucotoxigenin, Alloglaucotoxigenin, 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide, (3-beta,5-alpha,15-beta)-19-Oxo-3,14,15-trihydroxycard-20(22)-enolide, (8xi,9xi)-3beta,14,15beta-Trihydroxy-19-oxo-5alpha-card-20(22)-enolide
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 14155-65-8 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1([C@@H](C[C@@H]2C4=CC(=O)OC4)O)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O |
| InChIKey | QJKATDKDXQSALV-UFJODQJQSA-N |
Product Overview
3,14,15-Trihydroxy-19-oxocard-20(22)-enolide (CAS 14155-65-8), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
Property Insights of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide has 3 hydrogen bond donor(s) and 6 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 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide?
The CAS number of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide is 14155-65-8.
What is the molecular formula of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide?
The molecular formula of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide is C23H32O6.
What is the molecular weight of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide?
The molecular weight of 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide is 404.22 g/mol.
Where can I buy 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide?
You can request a quote for 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14,15-Trihydroxy-19-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.