| Name |
Bacobitacin D
(-)-Bacobitacin D |
| Formula |
C54H80O25 |
| Mw |
1128.49886811 |
| CAS RN |
942041-65-8 |
| C_ID |
C00034448
, 
|
| InChIKey |
IFGSTKBYVZGKSH-NQHGTIMRNA-N |
| InChICode |
InChI=1S/C54H80O25/c1-20-32(61)36(65)38(67)45(72-20)77-40-35(64)29(76-48-41(34(63)28(18-55)75-48)78-46-39(68)37(66)33(62)21(2)73-46)19-71-47(40)74-27-15-24-23(50(6,7)44(27)69)14-25(57)42-51(8)16-26(58)43(52(51,9)17-31(60)53(24,42)10)54(11,70)30(59)12-13-49(4,5)79-22(3)56/h12-15,20-21,24-26,28-29,32-43,45-48,55,57-58,61-68,70H,16-19H2,1-11H3/b13-12+/t20-,21-,24+,25+,26+,28-,29-,32-,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]3[C@@H](O)C=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. |
|
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