| 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 |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(CO)C)O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)O)CO)C)C)C(=O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Abrus precatorius L.  | Ref. |
|
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