| Name |
Escin VIb |
| Formula |
C55H86O23 |
| Mw |
1114.55598906 |
| CAS RN |
257637-08-4 |
| C_ID |
C00032945
, 
|
| InChIKey |
GAJXXWDWMZQNMJ-OZVBOWNTNA-N |
| InChICode |
InChI=1S/C55H86O24/c1-10-23(2)46(71)75-32-18-54(9)25(26-17-50(4,5)44(72-24(3)60)43(68)55(26,32)22-59)11-12-30-51(6)15-14-31(52(7,21-58)29(51)13-16-53(30,54)8)76-49-41(78-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(79-49)45(69)70)77-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,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 |
[C@@H]12[C@@]([C@@H]3[C@@](CC2)([C@]2(C(=CC3)[C@H]3[C@]([C@@H](C2)OC(=O)/C(=C\C)/C)(CO)[C@H]([C@@H](C(C3)(C)C)OC(=O)C)O)C)C)(CC[C@@H]([C@]1(C)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O[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 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Aesculus chinensis  | Ref. |
|
|
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