![3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one structure](/static/products/9063/90632-51-2.webp)
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
TL;DR: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (CAS 90632-51-2) is a chemical compound with molecular formula C29H42O8 and molecular weight 518.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Carda-16,20-dienolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, 2-Propenenitrile,3-(3-(acetyloxy)-2,3-dihydro-1-methyl-2-oxo-1H-indol-3-yl)-2-chloro, 4-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyl-oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
| Molecular Formula | C29H42O8 |
|---|---|
| Molecular Weight | 518.29 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.28796 |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 90632-51-2 |
|---|---|
| SMILES | CC1[C@H]([C@@H](C(O[C@H]1O)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC=C5C6=CC(=O)OC6)O)C)C)O)O |
| InChIKey | IHVXRZDMTKRGLH-GKDVIGGCSA-N |
Product Overview
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (CAS 90632-51-2), with molecular formula C29H42O8 and molecular weight 518.29 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Property Insights of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. Following Lipinski's Rule of Five, 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one has 4 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 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one?
The CAS number of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one is 90632-51-2.
What is the molecular formula of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one?
The molecular formula of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one is C29H42O8.
What is the molecular weight of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one?
The molecular weight of 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one is 518.29 g/mol.
Where can I buy 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one?
You can request a quote for 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-3-[(3S,4R,6R)-3,4,6-trihydroxy-5-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.