Summary
Molecular formula: C29H50O
SMILES: CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)CInChI: InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21?,23+,24+,25-,26+,27+,28+,29-/m1/s1InChIKey: KZJWDPNRJALLNS-OAIXMFQVSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:C1=C2CCCCC2C2CCC3CCCC3C2C1
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: Stigmastanes and derivatives
Synonymous chemical names:beta-sitosterol
External chemical identifiers:CID_222284; CAS_83-46-5; CHEMSPIDER_192962; ZINC_ZINC000004095717; Molport_MolPort-001-742-476
Chemical structure download