| Name |
Erucasaponin A |
| Formula |
C54H86O21 |
| Mw |
1070.56615981 |
| CAS RN |
949569-39-5 |
| C_ID |
C00030203
, 
|
| InChIKey |
JUXCCGZVFCJYAD-ZUJDQPFCNA-N |
| InChICode |
InChI=1S/C54H86O21/c1-21(2)25-13-18-54(49(67)75-47-39(63)36(60)33(57)24(5)70-47)20-19-52(9)26(30(25)54)11-12-28-51(8)16-15-29(50(6,7)27(51)14-17-53(28,52)10)71-48-43(74-46-38(62)35(59)32(56)23(4)69-46)41(40(64)42(73-48)44(65)66)72-45-37(61)34(58)31(55)22(3)68-45/h22-43,45-48,55-64H,1,11-20H2,2-10H3,(H,65,66)/t22-,23-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,45-,46-,47-,48+,51-,52+,53+,54-/m0/s1 |
| SMILES |
[C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H](C3(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C(=O)O)C)C)C)(CC[C@H]2C(=C)C)C(=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cactaceae | Stenocereus eruca A.C.Gibson & K.E.Horak | Ref. |
|
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