3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
TL;DR: 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide (CAS 37811-84-0) is a chemical compound with molecular formula C30H36O7 and molecular weight 508.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-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]phenanthren-3-yl] benzoate
Also Known As: Strophanthidin 3-benzoate, 4-18-00-03133 (Beilstein Handbook Reference), 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide, (3-beta,5-beta)-3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide, CARD-20(22)-ENOLIDE, 3-(BENZOYLOXY)-5,14-DIHYDROXY-19-OXO-, (3-beta,5-beta)-
| Molecular Formula | C30H36O7 |
|---|---|
| Molecular Weight | 508.25 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.2461 |
| Heavy Atoms | 37 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 37811-84-0 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C6=CC=CC=C6)C=O)O |
| InChIKey | MDJKDJJYSDHBSV-HSEJSDLCSA-N |
Product Overview
3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide (CAS 37811-84-0), with molecular formula C30H36O7 and molecular weight 508.25 g/mol. IUPAC: [(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-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]phenanthren-3-yl] benzoate.
Chemical Property Profile of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
Property Insights of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide?
The CAS number of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide is 37811-84-0.
What is the molecular formula of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide?
The molecular formula of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide is C30H36O7.
What is the molecular weight of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide?
The molecular weight of 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide is 508.25 g/mol.
Where can I buy 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide?
You can request a quote for 3-(Benzoyloxy)-5,14-dihydroxy-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-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.