Summary
SMILES: CC(=C)CCC[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)[C@H](O)CC(=O)C2(C)C)C)CInChI: InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-16-29(7)22-12-13-24-27(4,5)25(31)18-26(32)30(24,8)23(22)15-17-28(21,29)6/h20-24,26,32H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24-,26+,28-,29+,30+/m0/s1InChIKey: SPNKMBYYYRRZPV-JHOGMOBVSA-N
DeepSMILES: CC=C)CCC[C@@H][C@@H]CC[C@][C@@]5C)CC[C@H][C@H]6CC[C@@H][C@]6C)[C@H]O)CC=O)C6C)C))))))))))))))C)))))C
Scaffold Graph/Node/Bond level: O=C1CCC2C(CCC3C4CCCC4CCC23)C1
Scaffold Graph/Node level: OC1CCC2C(CCC3C4CCCC4CCC23)C1
Scaffold Graph level: CC1CCC2C(CCC3C4CCCC4CCC23)C1
Functional groups: C=C(C)C; CC(C)=O; 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: Cycloartane triterpenoids|Lanostane, Tirucallane and Euphane triterpenoids
Synonymous chemical names:phyllanthenol
Chemical structure download