| Name |
Bernardioside B2 |
| Formula |
C48H78O19 |
| Mw |
958.51373031 |
| CAS RN |
181871-99-8 |
| C_ID |
C00029813
, 
|
| InChIKey |
CANRKEOGFWSLCE-SBBNSMIVNA-N |
| InChICode |
InChI=1S/C48H78O19/c1-20-30(52)33(55)37(59)42(63-20)66-38-35(57)32(54)27(18-62-41-36(58)34(56)31(53)26(17-49)64-41)65-43(38)67-40(61)23-15-48(7)24(22-14-44(2,3)12-10-21(22)23)8-9-29-45(4)16-25(51)39(60)46(5,19-50)28(45)11-13-47(29,48)6/h8,20-23,25-39,41-43,49-60H,9-19H2,1-7H3/t20-,21-,22+,23-,25-,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36?,37+,38+,39-,41+,42-,43-,45-,46-,47+,48+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2C(OC(=O)[C@H]3C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)[C@@H]4CC(C)(C)CCC34)O[C@H](COC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Bellis perennis  | Ref. |
|
|
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