| Name |
Perennisaponin E
(-)-Perennisaponin E |
| Formula |
C75H20O34 |
| Mw |
1463.9835978 |
| CAS RN |
1033766-73-2 |
| C_ID |
C00030965
, 
|
| InChIKey |
VPSJNPFZPBIXMA-PVOBZLQVNA-N |
| InChICode |
InChI=1S/C75H120O34/c1-30(77)21-45(81)97-31(2)22-46(82)98-32(3)23-47(83)99-33(4)24-48(84)104-61-51(87)36(7)102-68(62(61)107-66-57(93)54(90)59(37(8)103-66)105-64-58(94)60(41(79)28-96-64)106-65-55(91)52(88)49(85)34(5)100-65)109-69(95)75-20-19-70(9,10)25-39(75)38-15-16-43-71(11)26-40(78)63(108-67-56(92)53(89)50(86)35(6)101-67)72(12,29-76)42(71)17-18-73(43,13)74(38,14)27-44(75)80/h15,30-37,39-44,49-68,76-80,85-94H,16-29H2,1-14H3/t30-,31-,32-,33-,34-,35-,36+,37-,39-,40-,41+,42+,43+,44+,49-,50-,51-,52+,53+,54-,55+,56+,57+,58+,59-,60-,61-,62+,63-,64-,65-,66-,67-,68+,71-,72-,73+,74+,75+/m0/s1 |
| SMILES |
C[C@H](O)CC(=O)O[C@@H](C)CC(=O)O[C@@H](C)CC(=O)O[C@@H](C)CC(=O)O[C@H]1[C@@H](O)[C@@H](C)OC(OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@@H]1O[C@@H]1O[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](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Bellis perennis  | Ref. |
|
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