16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide
TL;DR: 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide (CAS 51227-49-7) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Oleandrigenone, 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide, (8xi,9xi,17xi)-16beta-(Acetyloxy)-14-hydroxy-3-oxo-5beta-card-20(22)-enolide, CARD-20(22)-ENOLIDE, 16-(ACETYLOXY)-14-HYDROXY-3-OXO-, (5-beta,16-beta)-, [(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 51227-49-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4CC(=O)CC[C@@]4(C3CC[C@@]2(C1C5=CC(=O)OC5)C)C)O |
| InChIKey | LSJGAOKAEAXKPB-HBONCCPJSA-N |
Product Overview
16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide (CAS 51227-49-7), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: [(5R,10S,13R,14S,16S)-14-hydroxy-10,13-dimethyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide
Property Insights of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide has 1 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 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide?
The CAS number of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide is 51227-49-7.
What is the molecular formula of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide?
The molecular formula of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide is C25H34O6.
What is the molecular weight of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide?
The molecular weight of 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide is 430.24 g/mol.
Where can I buy 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide?
You can request a quote for 16-(Acetyloxy)-14-hydroxy-3-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 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 16-(Acetyloxy)-14-hydroxy-3-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.