Summary
Molecular formula: C29H40O4
SMILES: C=C(C(C(=O)O)C)CC[C@H]([C@H]1CC=C2[C@]1(C)CC(=O)C1=C2CCC2[C@]1(C)CCC(=O)[C@H]2C)CInChI: InChI=1S/C29H40O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h12,17-19,21-22H,1,7-11,13-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21-,22?,28+,29-/m1/s1InChIKey: PMHCHLYGCHPBEC-CYFVRWTGSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CCC2C3=C(CCC2C1)C1=CCCC1CC3=O
Scaffold Graph/Node level:OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1
Scaffold Graph level:CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Steroids and steroid derivatives
Sub class: Ergostane steroids
Synonymous chemical names:antcin e
External chemical identifiers:CID_15786231
Chemical structure download