| Name |
(13S)-Premarrubiin |
| Formula |
C20H28O4 |
| Mw |
332.19875938 |
| CAS RN |
72059-02-0 |
| C_ID |
C00023347
, 
|
| InChIKey |
OQLCWZJEAYGVQE-XJIGIOMCNA-N |
| InChICode |
InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15+,17+,18+,19+,20-/m1/s1 |
| SMILES |
C1C[C@]2([C@H]3[C@](C1)([C@@]1([C@@H](C[C@H]3OC2=O)C)O[C@]2(CC1)COC=C2)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Marrubium vulgare  | Ref. |
|
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