| 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@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1OC[C@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)O)O)O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)CO)O |
| 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 |
|---|
|
