Summary
Molecular formula: C30H48O2
SMILES: CC(C(=C)C[C@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CC[C@H]([C@H]2C)O)C)C)O)CInChI: InChI=1S/C30H48O2/c1-18(2)19(3)17-27(32)21(5)23-11-15-30(8)25-10-9-22-20(4)26(31)13-14-28(22,6)24(25)12-16-29(23,30)7/h10,12,18,20-23,26-27,31-32H,3,9,11,13-17H2,1-2,4-8H3/t20-,21-,22?,23+,26+,27+,28-,29+,30-/m0/s1InChIKey: ORNNIOPPXVEPKC-DNAHYVPOSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:C1=C2C(=CCC3CCCCC23)C2CCCC2C1
Scaffold Graph/Node level:C1CCC2C(C1)CCC1C3CCCC3CCC21
Scaffold Graph level:C1CCC2C(C1)CCC1C3CCCC3CCC21
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives
Synonymous chemical names:igniaren b
External chemical identifiers:CID_139585421; NPATLAS_NPA008304; CHEMSPIDER_78441033
Chemical structure download