Withanolide D
TL;DR: Withanolide D (CAS 35517-66-9) is a chemical compound with molecular formula C28H38O6 and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: Withanolide D, Ashwagandha, withanolide, Dong Quai, Danggui
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.26685 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 35517-66-9 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]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)C |
| InChIKey | SASUFNRGCZMRFD-JCUIILOWSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Withanolide D (CAS 35517-66-9), with molecular formula C28H38O6 and molecular weight 470.27 g/mol. IUPAC: (1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of Withanolide D
Property Insights of Withanolide D
The XLogP value of 3.1 indicates that Withanolide D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Withanolide D. Following Lipinski's Rule of Five, Withanolide D has 2 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 Withanolide D?
The CAS number of Withanolide D is 35517-66-9.
What is the molecular formula of Withanolide D?
The molecular formula of Withanolide D is C28H38O6.
What is the molecular weight of Withanolide D?
The molecular weight of Withanolide D is 470.27 g/mol.
Where can I buy Withanolide D?
You can request a quote for Withanolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withanolide D?
Yes, KEHONG BIO provides custom synthesis services for Withanolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.