| Name |
Ashwagandhanolide
(+)-Ashwagandhanolide |
| Formula |
C56H78O12S |
| Mw |
974.52139869 |
| CAS RN |
919478-81-2 |
| C_ID |
C00041360
, 
|
| InChIKey |
OCURLCGFNKYNMO-JSMZRVJPNA-N |
| InChICode |
InChI=1S/C56H78O12S/c1-27-21-41(67-49(63)33(27)25-57)29(3)35-9-11-37-31-23-47(55(65)45(61)15-13-43(59)53(55,7)39(31)17-19-51(35,37)5)69-48-24-32-38-12-10-36(30(4)42-22-28(2)34(26-58)50(64)68-42)52(38,6)20-18-40(32)54(8)44(60)14-16-46(62)56(48,54)66/h13-16,29-32,35-42,45-48,57-58,61-62,65-66H,9-12,17-26H2,1-8H3/t29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41+,42+,45-,46-,47-,48+,51-,52-,53-,54-,55+,56+/m0/s1 |
| SMILES |
C1=C[C@@H]([C@@]2([C@](C1=O)([C@@H]1[C@@H](C[C@@H]2S[C@@H]2C[C@@H]3[C@@H]([C@@]4([C@]2([C@H](C=CC4=O)O)O)C)CC[C@@]2([C@H]3CC[C@@H]2[C@@H]([C@H]2CC(=C(C(=O)O2)CO)C)C)C)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)C)C)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Withania somnifera  | Ref. |
|
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