| Name |
Primulasaponin |
| Formula |
C54H90O22 |
| Mw |
1090.59237456 |
| CAS RN |
31660-87-4 |
| C_ID |
C00003544
, 
|
| InChIKey |
XRVAIZXSTVHRLJ-UGNOGODXNA-N |
| InChICode |
InChI=1S/C54H90O22/c1-23-33(59)36(62)40(66)46(70-23)76-44-42(68)43(75-47-41(67)38(64)35(61)28(73-47)21-69-45-39(65)37(63)34(60)26(19-55)71-45)27(20-56)72-48(44)74-32-12-13-51(6)29(50(32,4)5)11-14-52(7)30(51)10-9-24-25-17-49(2,3)15-16-54(25,22-57)31(58)18-53(24,52)8/h9,23,25-48,55-68H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47-,48+,51-,52+,53+,54+/m0/s1 |
| SMILES |
CC1O[C@@H](OC2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(CO)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC(CO)[C@H](O[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)[C@H](O)C3O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Primulaceae | Primula elatior  | Ref. |
|
|
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