Summary
Molecular formula: C24H29ClO6
SMILES: O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(O)[C@H](OC(=O)c1c(O)cc(c(c1C)Cl)OC)C2)C)(C)CInChI: InChI=1S/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3/t13-,15+,18-,23-,24+/m1/s1InChIKey: QETHRCCHQRWBIJ-OXKPQTCESA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C(OC1CC2C1C=CC1CCCC12)c1ccccc1
Scaffold Graph/Node level:OC(OC1CC2C3CCCC3CCC12)C1CCCCC1
Scaffold Graph level:CC(CC1CC2C3CCCC3CCC12)C1CCCCC1
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Prenol lipids
Sub class: Sesquiterpenoids
Synonymous chemical names:armillaridin
External chemical identifiers:CID_51351607; CAS_96684-80-9; NPATLAS_NPA018512; CHEMSPIDER_112060; ZINC_ZINC000071316654
Chemical structure download