| Name |
Spinasaponin B |
| Formula |
C42H66O15 |
| Mw |
810.44017144 |
| CAS RN |
25406-62-6 |
| C_ID |
C00058055
|
| InChIKey |
JDGKHHCYVKBIIT-IZZUZEGSSA-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)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)22(18-43)54-34/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]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[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 | Chenopodiaceae | Spinacia spp. | Ref. |
|
|
zoom in
| Organism | Spinacia spp. |
|---|
| Reference | Power, F.B. et al., JCS, 1913, 103, 191-209 (Caulosaponin) |
|---|
|
