4beta-Hydroxywithanolide E
TL;DR: 4beta-Hydroxywithanolide E (CAS 54334-04-2) is a chemical compound with molecular formula C28H38O8 and molecular weight 502.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: 4beta-Hydroxywithanolide E, Acm-ATP, A-Hydroxywithanolide E, 4beta-hydroxywithanolide, 4-beta-Hydroxywithanolide E
| Molecular Formula | C28H38O8 |
|---|---|
| Molecular Weight | 502.26 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 502.25668 |
| Heavy Atoms | 36 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 54334-04-2 |
|---|---|
| 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]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)O)O)C |
| InChIKey | UPBUGICUKQIKTJ-KABTZXSUSA-N |
Product Overview
4beta-Hydroxywithanolide E (CAS 54334-04-2), with molecular formula C28H38O8 and molecular weight 502.26 g/mol. IUPAC: (1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of 4beta-Hydroxywithanolide E
Property Insights of 4beta-Hydroxywithanolide E
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4beta-Hydroxywithanolide E. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4beta-Hydroxywithanolide E. Following Lipinski's Rule of Five, 4beta-Hydroxywithanolide E has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4beta-Hydroxywithanolide E?
The CAS number of 4beta-Hydroxywithanolide E is 54334-04-2.
What is the molecular formula of 4beta-Hydroxywithanolide E?
The molecular formula of 4beta-Hydroxywithanolide E is C28H38O8.
What is the molecular weight of 4beta-Hydroxywithanolide E?
The molecular weight of 4beta-Hydroxywithanolide E is 502.26 g/mol.
Where can I buy 4beta-Hydroxywithanolide E?
You can request a quote for 4beta-Hydroxywithanolide E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4beta-Hydroxywithanolide E?
Yes, KEHONG BIO provides custom synthesis services for 4beta-Hydroxywithanolide E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.