Summary
SMILES: C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC[C@H]([C@@H]1CC2)CN1CCC[C@H]1C(=O)O)C)OInChI: InChI=1S/C20H31NO4/c1-12-5-6-16(22)20(2)8-7-14-13(11-25-18(14)17(12)20)10-21-9-3-4-15(21)19(23)24/h13-18,22H,1,3-11H2,2H3,(H,23,24)/t13-,14+,15+,16-,17-,18+,20+/m1/s1InChIKey: ZADAXYKZUWBGBO-LOYNAMIBSA-N
DeepSMILES: C=CCC[C@H][C@][C@H]6[C@H]OC[C@H][C@@H]5CC9)))CNCCC[C@H]5C=O)O)))))))))))))C))O
Scaffold Graph/Node/Bond level: C=C1CCCC2CCC3C(CN4CCCC4)COC3C12
Scaffold Graph/Node level: CC1CCCC2CCC3C(CN4CCCC4)COC3C12
Scaffold Graph level: CC1CCCC2CCC3C(CC4CCCC4)CCC3C12
Functional groups: C=C(C)C; CC(=O)O; CN(C)C; CO; COC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Naphthofurans
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Eudesmane sesquiterpenoids
Synonymous chemical names:saussureamine e
External chemical identifiers:CID:101641686
Chemical structure download