Summary
Molecular formula: C30H44O4
SMILES: COC(=O)C(C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)CCC(=O)[C@H]2C)C)CInChI: InChI=1S/C30H44O4/c1-17(19(3)28(33)34-7)8-9-18(2)22-12-13-24-21-10-11-23-20(4)25(31)14-15-29(23,5)27(21)26(32)16-30(22,24)6/h18-20,22-24H,1,8-16H2,2-7H3/t18-,19?,20+,22-,23+,24+,29+,30-/m1/s1InChIKey: JVQOVXPSHOWVQH-ZSGULCPNSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1CCC2C3=C(CCC2C1)C1CCCC1CC3=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:methyl antcinate a, methylantcinate a
External chemical identifiers:CID_52947057; CHEMSPIDER_26364485
Chemical structure download