3,5,11,14,19-Pentahydroxycard-20(22)-enolide
TL;DR: 3,5,11,14,19-Pentahydroxycard-20(22)-enolide (CAS 6785-68-8) is a chemical compound with molecular formula C23H34O7 and molecular weight 422.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5S,8R,9S,10R,11R,13R,17R)-3,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Sarmentologenin, Sarmentologenin [German], 3,5,11,14,19-Pentahydroxycard-20(22)-enolide, 3-beta,5,11-alpha,14,19-Pentahydroxy-5-beta-card-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,11-alpha,14,19-PENTAHYDROXY-
| Molecular Formula | C23H34O7 |
|---|---|
| Molecular Weight | 422.23 g/mol |
| LogP | 0.6624 |
| Topological Polar Surface Area | 127.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.23044 |
| Heavy Atoms | 30 |
| Complexity | 781.5133 |
Chemical Identifiers
| CAS Number | 6785-68-8 |
|---|---|
| SMILES | C[C@]12C[C@H]([C@H]3[C@H](C1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O)O |
Product Overview
3,5,11,14,19-Pentahydroxycard-20(22)-enolide (CAS 6785-68-8), with molecular formula C23H34O7 and molecular weight 422.23 g/mol. IUPAC: 3-[(3S,5S,8R,9S,10R,11R,13R,17R)-3,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide
Property Insights of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide
The XLogP value of 0.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,11,14,19-Pentahydroxycard-20(22)-enolide. The TPSA of 127.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,11,14,19-Pentahydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3,5,11,14,19-Pentahydroxycard-20(22)-enolide has 5 hydrogen bond donor(s) and 7 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 3,5,11,14,19-Pentahydroxycard-20(22)-enolide?
The CAS number of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide is 6785-68-8.
What is the molecular formula of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide?
The molecular formula of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide is C23H34O7.
What is the molecular weight of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide?
The molecular weight of 3,5,11,14,19-Pentahydroxycard-20(22)-enolide is 422.23 g/mol.
Where can I buy 3,5,11,14,19-Pentahydroxycard-20(22)-enolide?
You can request a quote for 3,5,11,14,19-Pentahydroxycard-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 3,5,11,14,19-Pentahydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,11,14,19-Pentahydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.