| Name |
Abrussaponin I |
| Formula |
C42H66O15 |
| Mw |
810.44017144 |
| CAS RN |
211568-32-0 |
| C_ID |
C00024126
, 
|
| InChIKey |
PJFATUBUMGTAKR-OSCAGDARNA-N |
| InChICode |
InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(28(47)26(45)22(18-43)54-35)57-34-30(49)27(46)29(48)31(56-34)33(50)51/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22-,23+,24+,25-,26+,27-,28-,29-,30-,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
| SMILES |
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO)[C@@H](O)C(O)[C@@H]6O[C@@H]6OC(C(=O)O)[C@@H](O)C(O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Abrus precatorius L.  | Ref. |
|
|
zoom in
|
