| Name |
Junceoside C |
| Formula |
C64H100O31 |
| Mw |
1364.62485648 |
| CAS RN |
393085-16-0 |
| C_ID |
C00046055
, 
|
| InChIKey |
KEXAKVAEOKDKBR-NCPVLKQONA-N |
| InChICode |
InChI=1S/C64H100O31/c1-24-34(69)39(74)49(93-54-44(79)40(75)46(25(2)87-54)90-52-41(76)35(70)28(67)21-84-52)56(86-24)95-58(83)64-17-15-59(3,4)19-27(64)26-9-10-32-60(5)13-12-33(61(6,23-66)31(60)11-14-63(32,8)62(26,7)16-18-64)89-57-50(94-55-43(78)38(73)37(72)30(20-65)88-55)47(45(80)48(92-57)51(81)82)91-53-42(77)36(71)29(68)22-85-53/h9,23-25,27-50,52-57,65,67-80H,10-22H2,1-8H3,(H,81,82)/t24-,25+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,52+,53+,54+,55+,56+,57-,60-,61+,62-,63-,64+/m1/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=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]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](C)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Arenaria juncea | Ref. |
|
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