| Name |
Conyzasaponin O
(-)-Conyzasaponin O |
| Formula |
C68H110O35 |
| Mw |
1486.68276529 |
| CAS RN |
653593-38-5 |
| C_ID |
C00044645
, 
|
| InChIKey |
PWRDLHLAHYWQCR-SRVWPFAQNA-N |
| InChICode |
InChI=1S/C68H110O35/c1-27-45(97-53-42(82)46(32(76)21-90-53)98-58-50(85)67(88,23-72)25-92-58)48(100-59-51(86)68(89,24-73)26-93-59)44(84)55(94-27)101-49-37(77)31(75)20-91-57(49)103-60(87)66-14-12-61(2,3)16-29(66)28-8-9-36-62(4)17-30(74)52(63(5,22-71)35(62)10-11-65(36,7)64(28,6)13-15-66)102-56-43(83)47(39(79)34(19-70)96-56)99-54-41(81)40(80)38(78)33(18-69)95-54/h8,27,29-59,69-86,88-89H,9-26H2,1-7H3/t27-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40-,41+,42+,43+,44+,45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-,62-,63-,64+,65+,66-,67+,68+/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](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@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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