| Name |
Gymnemic acid I |
| Formula |
C43H66O14 |
| Mw |
806.44525682 |
| CAS RN |
122168-40-5 |
| C_ID |
C00003523
, 
|
| InChIKey |
VEFSVJGWJQPWFS-VLWIANEWNA-N |
| InChICode |
InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37-,39-,40-,41+,42+,43-/m0/s1 |
| SMILES |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@H](C2)O)([C@H]([C@@H](C(C1)(C)C)OC(=O)/C(=C/C)/C)O)COC(=O)C)C)C)C)(C)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Gymnema sylvestre  | Ref. |
|
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