| Name |
Aesculioside IVa
(-)-Aesculioside IVa |
| Formula |
C57H90O23 |
| Mw |
1142.58728918 |
| CAS RN |
886840-42-2 |
| C_ID |
C00034791
, 
|
| InChIKey |
LPHWHWVLCPLJNB-UXWBQJAFNA-N |
| InChICode |
InChI=1S/C57H90O23/c1-12-24(3)47(71)79-44-45(80-48(72)25(4)13-2)57(23-60)27(20-52(44,5)6)26-14-15-31-54(9)18-17-32(53(7,8)30(54)16-19-55(31,10)56(26,11)42(67)43(57)68)75-51-41(78-50-37(65)35(63)33(61)28(21-58)73-50)39(38(66)40(77-51)46(69)70)76-49-36(64)34(62)29(22-59)74-49/h12,14,25,27-45,49-51,58-68H,13,15-23H2,1-11H3,(H,69,70)/b24-12-/t25-,27-,28+,29-,30-,31+,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44-,45-,49-,50-,51+,54-,55+,56-,57-/m0/s1 |
| SMILES |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)CC)[C@]2(CO)[C@H](O)[C@H](O)[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. |
|
|
zoom in
| Organism | Aesculus pavia |
|---|
| Reference | Zhang,Phytochem.,67,(2006),784 |
|---|
|
