| Name |
Aesculioside IIc
(-)-Aesculioside IIc |
| Formula |
C52H82O21 |
| Mw |
1042.53485968 |
| CAS RN |
886840-40-0 |
| C_ID |
C00034789
, 
|
| InChIKey |
UMOYUPMJUZJZFI-JDBDURMWNA-N |
| InChICode |
InChI=1S/C52H82O21/c1-10-22(2)43(66)73-41-40(63)52(21-55)24(17-47(41,3)4)23-11-12-28-49(7)15-14-30(48(5,6)27(49)13-16-50(28,8)51(23,9)18-29(52)56)69-46-39(72-45-35(61)33(59)31(57)25(19-53)67-45)37(36(62)38(71-46)42(64)65)70-44-34(60)32(58)26(20-54)68-44/h10-11,24-41,44-46,53-63H,12-21H2,1-9H3,(H,64,65)/b22-10-/t24-,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,44-,45-,46+,49-,50+,51+,52-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)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]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus pavia | Ref. |
|
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