| Name |
Perennisaponin B |
| Formula |
C71H112O31 |
| Mw |
1460.71875686 |
| CAS RN |
1033766-70-9 |
| C_ID |
C00030962
, 
|
| InChIKey |
SLXPOTIOERVLHR-UTTSRMCPNA-N |
| InChICode |
InChI=1S/C71H112O31/c1-30(73)21-45(78)91-31(2)22-46(79)92-32(3)23-47(80)93-33(4)24-48(81)98-55-35(6)96-64(59(52(55)85)101-63-58(97-37(8)74)53(86)56(36(7)95-63)99-61-54(87)57(41(76)28-90-61)100-62-51(84)50(83)49(82)34(5)94-62)102-65(89)71-20-19-66(9,10)25-39(71)38-15-16-43-67(11)26-40(75)60(88)68(12,29-72)42(67)17-18-69(43,13)70(38,14)27-44(71)77/h15,30-36,39-44,49-64,72-73,75-77,82-88H,16-29H2,1-14H3/t30-,31-,32-,33-,34-,35+,36-,39-,40-,41+,42+,43+,44+,49-,50+,51+,52-,53+,54+,55-,56-,57-,58+,59+,60-,61-,62-,63-,64-,67+,68-,69+,70+,71+/m0/s1 |
| SMILES |
CC(=O)O[C@H]1[C@H](O[C@H]2C(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@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@H](C)[C@H](OC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C[C@H](C)O)[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Bellis perennis  | Ref. |
|
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