| Name |
Marrubenol |
| Formula |
C20H32O4 |
| Mw |
336.23005951 |
| CAS RN |
560-58-7 |
| C_ID |
C00022294
, 
|
| InChIKey |
NZMHIKFTAXRIDL-VMAVGXCLNA-N |
| InChICode |
InChI=1S/C20H32O4/c1-14-11-16(22)17-18(2,13-21)7-4-8-19(17,3)20(14,23)9-5-15-6-10-24-12-15/h6,10,12,14,16-17,21-23H,4-5,7-9,11,13H2,1-3H3/t14-,16-,17+,18-,19+,20-/m1/s1 |
| SMILES |
C1C[C@]([C@H]2[C@](C1)([C@]([C@@H](C[C@H]2O)C)(CCc1ccoc1)O)C)(C)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Marrubium vulgare  | Ref. |
|
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