| Name |
Bacobitacin B
(-)-Bacobitacin B |
| Formula |
C34H46O9 |
| Mw |
598.31418307 |
| CAS RN |
942041-63-6 |
| C_ID |
C00034446
, 
|
| InChIKey |
MJBVHNXBYFMUNE-QQMHQASPNA-N |
| InChICode |
InChI=1S/C34H46O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-15,21,23-24,27,37,41H,12,16-17H2,1-10H3/b14-13+/t21-,23-,24+,27+,31+,32-,33+,34+/m1/s1 |
| SMILES |
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)OC(C)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Bacopa monnieri  | Ref. |
|
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