5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-
TL;DR: 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- (CAS 6980-14-9) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: 16-Dehydrostrophanthidin, 5-beta-CARDA-16,20(22)-DIENOLIDE, 19-OXO-3-beta,5,14-TRIHYDROXY-, 3,5,14-Trihydroxy-19-oxocarda-16,20(22)-dienolide, Carda-16,20(22)-dienolide, 3,5,14-trihydroxy-19-oxo-, (3-beta,5-beta)-, (8xi,9xi)-3beta,5,14-Trihydroxy-19-oxo-5beta-carda-16,20(22)-dienolide
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 6980-14-9 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC=C2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O |
| InChIKey | HWGUYGUHKLZAGR-JVXUQKQUSA-N |
Product Overview
5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- (CAS 6980-14-9), with molecular formula C23H30O6 and molecular weight 402.20 g/mol. IUPAC: (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-
Property Insights of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-. Following Lipinski's Rule of Five, 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- has 3 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 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-?
The CAS number of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- is 6980-14-9.
What is the molecular formula of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-?
The molecular formula of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- is C23H30O6.
What is the molecular weight of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-?
The molecular weight of 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- is 402.20 g/mol.
Where can I buy 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-?
You can request a quote for 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 5-beta-Carda-16,20(22)-dienolide, 19-oxo-3-beta,5,14-trihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.