| Name |
Ageratoside B2
(-)-Ageratoside B2 |
| Formula |
C57H90O27 |
| Mw |
1206.56694767 |
| CAS RN |
233761-49-4 |
| C_ID |
C00038383
, 
|
| InChIKey |
VCKFOAFRMMHDRN-JEABUNIGNA-N |
| InChICode |
InChI=1S/C57H90O27/c1-22-35(65)43(82-47-40(70)37(67)28(62)20-76-47)41(71)48(78-22)83-44-38(68)29(63)21-77-49(44)84-51(74)57-13-12-52(2,3)15-24(57)23-8-9-31-53(4)16-26(60)45(56(7,50(72)73)32(53)10-11-54(31,5)55(23,6)17-33(57)64)80-34-14-25(59)42(30(18-58)79-34)81-46-39(69)36(66)27(61)19-75-46/h8,22,24-49,58-71H,9-21H2,1-7H3,(H,72,73)/t22-,24-,25+,26-,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44+,45-,46-,47-,48-,49-,53+,54+,55+,56-,57+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@H]7C[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](CO)O7)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster ageratoides Turez var. ovatus Nakai  | Ref. |
|
|
zoom in
| Organism | Aster ageratoides Turez var. ovatus Nakai |
|---|
| Reference | Sakai,Phytochem.,51,(1999),309 |
|---|
|
