| Name |
Pisumsaponin I
(+)-Pisumsaponin I |
| Formula |
C51H80O21 |
| Mw |
1028.51920962 |
| CAS RN |
333334-36-4 |
| C_ID |
C00033310
, 
|
| InChIKey |
UZZVCPOZXWRBFO-DOCTUYRNNA-N |
| InChICode |
InChI=1S/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65)/t22-,24-,25+,26+,27+,28-,29+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,43-,44-,45+,47+,48-,49+,50+,51+/m0/s1 |
| SMILES |
[C@@]12([C@H]([C@]([C@H](CC2)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)(CO)C)CC[C@@]2([C@@H]1CC=C1[C@]2(CC[C@@]2([C@H]1CC(C[C@H]2OC(=O)CC(=O)O)(C)C)C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pisum sativum L.  | Ref. |
|
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