Summary
Molecular formula: C24H30O6
SMILES: COc1cc(C)c(c(c1)O)C(=O)O[C@@H]1C[C@]2([C@]1(O)C(=C[C@H]1[C@@H]2CC(C1)(C)C)C=O)CInChI: InChI=1S/C24H30O6/c1-13-6-16(29-5)8-18(26)20(13)21(27)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)28/h6-8,12,14,17,19,26,28H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1InChIKey: ISKWRTCZWOXOOF-GNMVUSIZSA-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:armillarin
External chemical identifiers:CID_134206; CAS_83329-14-0; NPATLAS_NPA019852; CHEMSPIDER_118323; ZINC_ZINC000006069951
Chemical structure download