| Name |
AzIII |
| Formula |
C54H82O22 |
| Mw |
1082.52977431 |
| CAS RN |
244776-46-3 |
| C_ID |
C00055477
|
| InChIKey |
MISLOXVLNGPFID-USTFHRRUSA-N |
| InChICode |
InChI=1S/C54H82O22/c1-22-32(57)26(56)18-31(69-22)71-30-20-49(3,4)19-25-24-10-11-28-51(6)14-13-29(52(7,21-55)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-47-42(37(62)35(60)40(73-47)44(65)66)76-48-43(38(63)36(61)41(74-48)45(67)68)75-46-39(64)34(59)33(58)23(2)70-46/h10,23,25,27-31,33-43,46-48,55,57-64H,11-21H2,1-9H3,(H,65,66)(H,67,68)/t23-,25-,27+,28+,29-,30+,31-,33-,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1 |
| SMILES |
CC1=C(O)C(=O)C[C@H](O[C@@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Vigna angularis  | Ref. |
|
|
zoom in
| Organism | Vigna angularis |
|---|
| Reference | Willner, D. et al., JCS, 1964, 5885-5888 (Soyasapogenol B, isol) |
|---|
|
