| Name |
25-O-Acetyl-7,8-didehydrocimigenol |
| Formula |
C32H48O6 |
| Mw |
528.34508926 |
| CAS RN |
150972-73-9 |
| C_ID |
C00024071
, 
|
| InChIKey |
VWKXWHFAFDZMEM-CVLKFSJCNA-N |
| InChICode |
InChI=1S/C32H48O6/c1-17-15-19-24(27(5,6)36-18(2)33)38-32(37-19)23(17)28(7)13-14-31-16-30(31)12-11-22(34)26(3,4)20(30)9-10-21(31)29(28,8)25(32)35/h10,17,19-20,22-25,34-35H,9,11-16H2,1-8H3/t17-,19?,20+,22+,23-,24+,25-,28-,29-,30-,31+,32-/m1/s1 |
| SMILES |
CC(=O)OC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC=C4[C@]1(C)[C@H]3O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Cimicifuga heracleifolia KOMAROV  | Ref. |
|
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