| Name |
Chikusetsusaponin IVa methyl ester
Silphioside A |
| Formula |
C43H68O14 |
| Mw |
808.46090688 |
| CAS RN |
58546-61-5 |
| C_ID |
C00036896
, 
|
| InChIKey |
XPORLJWHBRUXGD-HZHUKPTANA-N |
| InChICode |
InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,35-,36+,40-,41+,42+,43-/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Silphium perfoliatum | Ref. |
| Plantae | Orchidaceae | Brassia muricata | Ref. |
|
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