| Name |
Jujuboside A1
Jujuboside D |
| Formula |
C58H94O26 |
| Mw |
1206.60333318 |
| CAS RN |
194851-84-8 |
| C_ID |
C00051052
|
| InChIKey |
KVKRFLVYJLIZFD-VJNFDUOANA-N |
| InChICode |
InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,49+,50-,51+,52+,54+,55-,56+,57+,58+/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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[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 var.spinosa  | Ref. |
| Plantae | Rhamnaceae | Zizyphus jujuba var.spinosa | Ref. |
|
|
zoom in
| Organism | Zizyphus jujuba var.spinosa |
|---|
| Reference | Kawai,K.-I.et al.,Acta Cryst.B,30,(1974),2886-2888 |
|---|
|
