| Name |
Bacobitacin C
(-)-Bacobitacin C |
| Formula |
C54H80O24 |
| Mw |
1112.50395349 |
| CAS RN |
942041-64-7 |
| C_ID |
C00034447
, 
|
| InChIKey |
GEYQRPFTIAUWJM-WOLYIFSDNA-N |
| InChICode |
InChI=1S/C54H80O24/c1-21-33(60)37(64)39(66)45(71-21)76-41-36(63)29(75-48-42(35(62)28(19-55)74-48)77-46-40(67)38(65)34(61)22(2)72-46)20-70-47(41)73-27-16-25-24(50(6,7)44(27)68)12-13-30-51(8)17-26(57)43(52(51,9)18-32(59)53(25,30)10)54(11,69)31(58)14-15-49(4,5)78-23(3)56/h12,14-16,21-22,25-26,28-30,33-43,45-48,55,57,60-67,69H,13,17-20H2,1-11H3/b15-14+/t21-,22-,25+,26+,28-,29-,30-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,45-,46-,47+,48-,51-,52+,53-,54-/m0/s1 |
| SMILES |
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5OC[C@H](O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Bacopa monnieri  | Ref. |
|
|
zoom in
| Organism | Bacopa monnieri |
|---|
| Reference | Bhandari,Phytochem.,68,(2007),1248 |
|---|
|
