Summary
SMILES: CC(=CCC[C@@H]([C@@H]1[C@@H](O)C[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CCCC2(C)C)C)C)CInChI: InChI=1S/C30H50O/c1-20(2)11-9-12-21(3)26-24(31)19-30(8)23-13-14-25-27(4,5)16-10-17-28(25,6)22(23)15-18-29(26,30)7/h11,13,21-22,24-26,31H,9-10,12,14-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m0/s1InChIKey: DSDWQPFSWIGANC-IPEWHYFASA-N
DeepSMILES: CC=CCC[C@@H][C@@H][C@@H]O)C[C@][C@@]5C)CC[C@H]C6=CC[C@@H][C@]6C)CCCC6C)C))))))))))))))C)))))C)))))C
Scaffold Graph/Node/Bond level: C1=C2C3CCCC3CCC2C2CCCCC2C1
Scaffold Graph/Node level: C1CCC2C(C1)CCC1C3CCCC3CCC21
Scaffold Graph level: C1CCC2C(C1)CCC1C3CCCC3CCC21
Functional groups: CC=C(C)C; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Triterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Lanostane, Tirucallane and Euphane triterpenoids
Synonymous chemical names:limocinol
External chemical identifiers:CID:14845542; ZINC:ZINC000255207590
Chemical structure download