| Name |
Chromosaponin I
Soyasaponin betag |
| Formula |
C54H84O21 |
| Mw |
1068.55050975 |
| CAS RN |
143519-54-4 |
| C_ID |
C00055479
|
| InChIKey |
ONAAMCDHQSWPDU-BKUHCKHBSA-N |
| InChICode |
InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26-,28+,29+,30+,31-,32+,33-,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,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](CO)[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 | Glycine max  | Ref. |
| Plantae | Fabaceae | Phaseolus coccineus | Ref. |
| Plantae | Fabaceae | Pisum sativum | Ref. |
|
|
zoom in
| Organism | Phaseolus coccineus |
|---|
| Reference | Willner, D. et al., JCS, 1964, 5885-5888 (Soyasapogenol B, isol) |
|---|
|
