| Name |
Escin IVg |
| Formula |
C53H84O23 |
| Mw |
1088.54033899 |
| CAS RN |
257878-89-0 |
| C_ID |
C00032943
, 
|
| InChIKey |
WEAAQIOIPSOYBH-CTLPAREGNA-N |
| InChICode |
InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)48(3,4)16-24-23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(58)53(24,42)21-57)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9+/t24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,45-,46-,47+,49-,50+,51+,52+,53-/m0/s1 |
| SMILES |
[C@@H]12[C@@]([C@@H]3[C@@](CC2)([C@]2(C(=CC3)[C@H]3[C@]([C@@H](C2)O)(CO)[C@H]([C@@H](C(C3)(C)C)O)OC(=O)/C(=C/C)/C)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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