| Name |
Jujuboside B1 |
| Formula |
C52H84O21 |
| Mw |
1044.55050975 |
| CAS RN |
68144-21-8 |
| C_ID |
C00051053
|
| InChIKey |
OAVAUZCEOWCYCC-OFUIATLZNA-N |
| InChICode |
InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24+,25-,26-,27+,28-,29+,30-,31+,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42+,43+,44-,45+,46+,48+,49-,50+,51+,52+/m1/s1 |
| SMILES |
CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Ziziphus jujuba  | Ref. |
| Plantae | Rhamnaceae | Zizyphus jujuba | Ref. |
|
|
zoom in
| Organism | Ziziphus jujuba |
|---|
| Reference | Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999) |
|---|
|
