| Name |
Conyzasaponin B
(+)-Conyzasaponin B |
| Formula |
C67H108O34 |
| Mw |
1456.6722006 |
| CAS RN |
317816-99-2 |
| C_ID |
C00045799
, 
|
| InChIKey |
IJLQJYVGUSRPHQ-MXCIGDCVNA-N |
| InChICode |
InChI=1S/C67H108O34/c1-26-46(95-55-43(82)47(33(75)22-90-55)96-59-51(85)67(87,24-70)25-92-59)49(98-54-42(81)38(77)31(73)20-89-54)45(84)56(93-26)99-50-39(78)32(74)21-91-58(50)101-60(86)66-14-12-61(2,3)16-28(66)27-8-9-36-62(4)17-29(71)52(63(5,23-69)35(62)10-11-65(36,7)64(27,6)13-15-66)100-57-44(83)48(40(79)34(18-68)94-57)97-53-41(80)37(76)30(72)19-88-53/h8,26,28-59,68-85,87H,9-25H2,1-7H3/t26-,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-,57-,58+,59-,62-,63-,64+,65+,66-,67+/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(CC[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[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)C)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. |
|
|
zoom in
| Organism | Conyza blinii |
|---|
| Reference | Su,J.Nat.Prod.,64,(2001),32 |
|---|
|
