Withanolide D
(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|WithanolideD|Indian ginseng|tang-kuei|dang-gui|Chinese angelica|State of Return|Angelica sinensis|Dang gui wei|Dong Quai Root|Tang Kuei Root|Dang Gui Root|Dang Gui Shen|Dong Gui Root|Dang Gui Tou|Winter Cherry Root|WITHANIA SOMNIFERA|Dihydrowithanolide D|Chinese angelica root|AJAGANDHA WHOLE|Angelica sinensis root|ASGANDH WHOLE|ASHWAGANDA ROOT|ASGANDH ROOT|WITHANOLIDE D(P)|ASHVAGANDBA ROOT|ASHWAGANDA WHOLE|ASHWAGANDHA ROOT|DANG GUI WHOLE|DONG GUI WHOLE|DONG QUAI WHOLE|TANG KUEI WHOLE|ASHVAGANDBA WHOLE|ASHVAGANDHA WHOLE|ASHWAGANDHA WHOLE|Angelicae Sinensis Radix|Angelica Sinensis, Radix|KANAJE HINDI WHOLE|WINTER-CHERRY ROOT|WINTER CHERRY WHOLE|INDIAN GINSENG WHOLE|SAMM AL FERAKH WHOLE
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.26685 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 |
| Monoisotopic 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 470.26685 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.
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