Withaperuvin
TL;DR: Withaperuvin (CAS 78285-97-9) is a chemical compound with molecular formula C28H40O9 and molecular weight 520.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-pentahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Also Known As: WITHAPERUVIN, NCI60_002929, (2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-pentahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one, (2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4, (17S,22R)-4beta,5,6alpha,14,17,20,22-Heptahydroxy-1-oxo-5beta-ergosta-2,24-dien-26-oic acid 26,22-lactone
| Molecular Formula | C28H40O9 |
|---|---|
| Molecular Weight | 520.27 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 520.2672 |
| Heavy Atoms | 37 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 78285-97-9 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@]5([C@@]4(C(=O)C=C[C@@H]5O)C)O)O)C)O)O)O)C |
| InChIKey | XLUKITCTLVOOAW-VQDSAXESSA-N |
Product Overview
Withaperuvin (CAS 78285-97-9), with molecular formula C28H40O9 and molecular weight 520.27 g/mol. IUPAC: (2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-pentahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one.
Chemical Property Profile of Withaperuvin
Property Insights of Withaperuvin
The XLogP value of -0.4 indicates that Withaperuvin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting Withaperuvin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Withaperuvin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Withaperuvin?
The CAS number of Withaperuvin is 78285-97-9.
What is the molecular formula of Withaperuvin?
The molecular formula of Withaperuvin is C28H40O9.
What is the molecular weight of Withaperuvin?
The molecular weight of Withaperuvin is 520.27 g/mol.
Where can I buy Withaperuvin?
You can request a quote for Withaperuvin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withaperuvin?
Yes, KEHONG BIO provides custom synthesis services for Withaperuvin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.