| Name |
Conyzasaponin J
(-)-Conyzasaponin J |
| Formula |
C63H102O31 |
| Mw |
1354.64050655 |
| CAS RN |
653593-33-0 |
| C_ID |
C00044640
, 
|
| InChIKey |
WTSBYZSFQOROLG-OYJWSQLMNA-N |
| InChICode |
InChI=1S/C63H102O31/c1-23-35(71)39(75)42(78)53(86-23)90-47-30(69)21-84-52(44(47)80)89-46-24(2)87-54(43(79)40(46)76)92-49-37(73)29(68)20-85-56(49)94-57(82)63-14-13-58(3,4)15-26(63)25-9-10-33-59(5)16-27(66)50(60(6,22-65)32(59)11-12-61(33,7)62(25,8)17-34(63)70)93-55-45(81)48(38(74)31(18-64)88-55)91-51-41(77)36(72)28(67)19-83-51/h9,23-24,26-56,64-81H,10-22H2,1-8H3/t23-,24-,26-,27-,28+,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+,59-,60-,61+,62+,63+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H](O)C[C@]2([C@H]([C@]1(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(C[C@H]([C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@H]1OC[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C)O)O)O)C)C)C)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Conyza blinii | Ref. |
|
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