Summary
SMILES: CC[C@@H](C(=C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CCC2[C@]1(C)CC[C@@H](C2)O)CInChI: InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+/t20-,21?,22?,23+,25-,26+,27+,28+,29-/m1/s1InChIKey: IMWBKGMKWXIXEQ-VXKYYQJXSA-N
DeepSMILES: CC[C@@H]C=C)C))/C=C/[C@H][C@H]CC[C@@H][C@]5C)CC[C@H]C6=CCC[C@]6C)CC[C@@H]C6)O)))))))))))))))))C
Scaffold Graph/Node/Bond level: C1=C2C3CCCC3CCC2C2CCCCC2C1
Scaffold Graph/Node level: C1CCC2C(C1)CCC1C3CCCC3CCC21
Scaffold Graph level: C1CCC2C(C1)CCC1C3CCCC3CCC21
Functional groups: C/C=C/C; C=C(C)C; CC=C(C)C; CO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Stigmastanes and derivatives
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Steroids
NP Classifier Class: Cholestane steroids|Stigmastane steroids
Synonymous chemical names:stigmasta-7,22,25-trien-3beta-ol
External chemical identifiers:CID:101699624
Chemical structure download