| Name |
Betavulgaroside VIII |
| Formula |
C46H68O20 |
| Mw |
940.43039462 |
| CAS RN |
178535-52-9 |
| C_ID |
C00053929
|
| InChIKey |
GJDSPKMNYRVQEF-MRJQTJJCSA-N |
| InChICode |
InChI=1S/C46H68O20/c1-19-7-8-20-21(15-19)23-9-10-26-44(4)13-12-27(63-42-33(54)35(32(53)36(65-42)38(58)59)64-40(34(55)37(56)57)61-18-28(48)49)43(2,3)25(44)11-14-45(26,5)46(23,6)16-22(20)39(60)66-41-31(52)30(51)29(50)24(17-47)62-41/h9,20-22,24-27,29-36,40-42,47,50-55H,1,7-8,10-18H2,2-6H3,(H,48,49)(H,56,57)(H,58,59)/t20?,21-,22+,24-,25+,26-,27+,29-,30+,31-,32+,33-,34-,35+,36+,40+,41+,42-,44+,45-,46-/m1/s1 |
| SMILES |
C=C1CCC2[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[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](OCC(=O)O)[C@H](O)C(=O)O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllales | Beta vulgaris  | Ref. |
|
|
zoom in
| Organism | Beta vulgaris |
|---|
| Reference | Ahmad, V.U. et al., J. Nat. Prod., 1986, 49, 784-786 (Guaianin) |
|---|
|
