3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide
TL;DR: 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide (CAS 6785-70-2) is a chemical compound with molecular formula C23H32O7 and molecular weight 420.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,10R,13S,14S)-3,5,11,14-tetrahydroxy-10-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
Also Known As: Canescegenin, Canescegenine, Sarmentosigenin A, NIGRESCIGENIN, 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide
| Molecular Formula | C23H32O7 |
|---|---|
| Molecular Weight | 420.21 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.2148 |
| Heavy Atoms | 30 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 6785-70-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3C2C(C[C@]4([C@@]3(CCC4C5=CC(=O)OC5)O)C=O)O)O)O |
| InChIKey | KKEVCQDNOHUAOZ-QBAFWMPPSA-N |
Product Overview
3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide (CAS 6785-70-2), with molecular formula C23H32O7 and molecular weight 420.21 g/mol. IUPAC: (3S,5S,8R,10R,13S,14S)-3,5,11,14-tetrahydroxy-10-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde.
Chemical Property Profile of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide
Property Insights of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide
The XLogP value of -0.1 indicates that 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide has 4 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-Tetrahydroxy-18-oxocard-20(22)-enolide?
The CAS number of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide is 6785-70-2.
What is the molecular formula of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide?
The molecular formula of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide is C23H32O7.
What is the molecular weight of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide?
The molecular weight of 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide is 420.21 g/mol.
Where can I buy 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide?
You can request a quote for 3,5,11,14-Tetrahydroxy-18-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 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,11,14-Tetrahydroxy-18-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.