Summary
SMILES: CC([C@H]1CC[C@]2([C@]1(C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@H](C1(C)C)O)C)O)CInChI: InChI=1S/C30H52O2/c1-19(2)20-11-16-30(32)23-10-9-22-26(5)14-13-24(31)25(3,4)21(26)12-15-28(22,7)29(23,8)18-17-27(20,30)6/h19-24,31-32H,9-18H2,1-8H3/t20-,21+,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1InChIKey: DNXPKFMWGNHGAW-SPEATPJRSA-N
DeepSMILES: CC[C@H]CC[C@][C@]5C)CC[C@@][C@@H]6CC[C@H][C@@]6C)CC[C@@H][C@]6C)CC[C@H]C6C)C))O)))))))))))))C)))))O)))))C
Scaffold Graph/Node/Bond level: C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21
Scaffold Graph/Node level: C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21
Scaffold Graph level: C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21
Functional groups: CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Hopanoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Lupane triterpenoids
Synonymous chemical names:isoalangidiol, isoalangidiol (triterpene b)
External chemical identifiers:CID:102117195
Chemical structure download