3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide
TL;DR: 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide (CAS 749-72-4) 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,10S,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-13-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-10-carbaldehyde
Also Known As: Antiarigenin, 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-beta,5,12-beta,14-Tetrahydroxy-19-oxo-5-beta-card-20(22)-enolide, (8xi,9xi)-3beta,5,12beta,14-Tetrahydroxy-19-oxo-5beta-card-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,12-beta,14-TETRAHYDROXY-19-OXO-
| Molecular Formula | C23H32O7 |
|---|---|
| Molecular Weight | 420.21 g/mol |
| LogP | -0.5 |
| 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 | 749-72-4 |
|---|---|
| SMILES | C[C@@]12[C@H](CC[C@@]1(C3CC[C@@]4(C[C@H](CC[C@@]4(C3C[C@H]2O)C=O)O)O)O)C5=CC(=O)OC5 |
| InChIKey | FMCCZSFBYFYVDN-MBDBEIGXSA-N |
Product Overview
3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide (CAS 749-72-4), with molecular formula C23H32O7 and molecular weight 420.21 g/mol. IUPAC: (3S,5S,10S,12R,13S,14S,17R)-3,5,12,14-tetrahydroxy-13-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-10-carbaldehyde.
Chemical Property Profile of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide
Property Insights of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide
The XLogP value of -0.5 indicates that 3,5,12,14-Tetrahydroxy-19-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 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 3,5,12,14-Tetrahydroxy-19-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 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide?
The CAS number of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide is 749-72-4.
What is the molecular formula of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide?
The molecular formula of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide is C23H32O7.
What is the molecular weight of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide?
The molecular weight of 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide is 420.21 g/mol.
Where can I buy 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide?
You can request a quote for 3,5,12,14-Tetrahydroxy-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 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,12,14-Tetrahydroxy-19-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.