Summary
SMILES: C=C(C(C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)CInChI: InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1InChIKey: BDHQMRXFDYJGII-UEBIAWITSA-N
DeepSMILES: C=CCC)C))CC[C@H][C@H]CC[C@@][C@]5C)CC[C@][C@H]6CC[C@@H][C@]6C7)CC[C@@H]C6C)C))O)))))))))))))C)))))C
Scaffold Graph/Node/Bond level: C1CC2CCC34CC35CCCCC5CCC4C2C1
Scaffold Graph/Node level: C1CC2CCC34CC35CCCCC5CCC4C2C1
Scaffold Graph level: C1CC2CCC34CC35CCCCC5CCC4C2C1
Functional groups: C=C(C)C; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Cycloartanols and derivatives
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Cycloartane triterpenoids
Synonymous chemical names:24-me-enecycloartanol, 24-methyl-cycloartenol, 24-methylene cycloartanol, 24-methylene cycloartenol, 24-methylene-cycloartanal, 24-methylene-cycloartanol, 24-methylene-cycloartenal, 24-methylene-cycloartenol, 24-methylenecycloartanol, 24-methylenecycloartenol, 24-methylenecycloratenol, 25-methylene cycloartenol, cycloartanol, 24-methylene, cycloartanol,24-methylene, cycloartenol, 24-methylene
External chemical identifiers:CID:94204; ChEMBL:CHEMBL376350; ChEBI:1307; ZINC:ZINC000004097817; FDASRS:FI34181G3X; SureChEMBL:SCHEMBL1653320; MolPort-028-599-901
Chemical structure download