Summary
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](CC=C3[C@]2(C)CC[C@@H](C3)O)[C@@]2([C@@]([C@@H]1O)(C)[C@H](CC2)C(=O)C)OInChI: InChI=1S/C23H34O6/c1-12(24)16-8-10-23(28)17-6-5-14-11-15(26)7-9-21(14,3)18(17)19(29-13(2)25)20(27)22(16,23)4/h5,15-20,26-28H,6-11H2,1-4H3/t15-,16+,17+,18+,19-,20+,21-,22-,23-/m0/s1InChIKey: WPNDRNNDZTUDEL-MJNJLXEKSA-N
DeepSMILES: CC=O)O[C@H][C@H][C@@H]CC=C[C@]6C)CC[C@@H]C6)O))))))))[C@@][C@@][C@@H]6O))C)[C@H]CC5))C=O)C))))O
Scaffold Graph/Node/Bond level: C1=C2CCCCC2C2CCC3CCCC3C2C1
Scaffold Graph/Node level: C1CCC2C(C1)CCC1C3CCCC3CCC21
Scaffold Graph level: C1CCC2C(C1)CCC1C3CCCC3CCC21
Functional groups: CC(=O)OC; CC(C)=O; 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: Pregnane steroids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Steroids
NP Classifier Class: Pregnane steroids
Synonymous chemical names:drevogenin b
External chemical identifiers:CID:12309364; ZINC:ZINC000255277556
Chemical structure download