| Name |
Isoescin Ia |
| Formula |
C55H86O24 |
| Mw |
1130.55090368 |
| CAS RN |
219944-39-5 |
| C_ID |
C00031900
, 
|
| InChIKey |
VQDUTOWWPYHRSC-VUCBANARNA-N |
| InChICode |
InChI=1S/C55H88O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10,25-44,47-49,56-58,60-68H,11-22H2,1-9H3,(H,69,70)/b23-10+/t25-,26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1 |
| SMILES |
C1([C@H]([C@@H]([C@]2([C@@H](C1)[C@H]1[C@@](C[C@H]2O)([C@]2([C@H](CC1)[C@@]1([C@@H](CC2)[C@@]([C@H](CC1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O)(C)CO)C)C)C)COC(=O)C)O)OC(=O)/C(=C/C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus chinensis  | Ref. |
|
|
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