Chem
J-GLOBAL ID：200907005106758230
Nikkaji number：J2.562.598F
(4aS)-1,1,4aβ-Trimethyl-5,6-dimethoxy-7-isopropyl-8-hydroxy-1,2,3,4,4a,9aβ-hexahydro-9H-fluorene-9-one
(4aS)-1,1,4aβ-トリメチル-5,6-ジメトキシ-7-イソプロピル-8-ヒドロキシ-1,2,3,4,4a,9aβ-ヘキサヒドロ-9H-フルオレン-9-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI：
InChI=1S/C21H30O4/c1-11(2)12-15(22)13-14(18(25-7)17(12)24-6)21(5)10-8-9-20(3,4)19(21)16(13)23/h11,19,22H,8-10H2,1-7H3/t19-,21-/m1/s1
InChI key：
AKDIUTNHOKIDPE-TZIWHRDSSA-N
SMILES：
COc1c2c(C(=O)[C@H]3[C@]2(C)CCCC3(C)C)c(O)c(C(C)C)c1OC
Systematic name (3)：
- (4aS)-1,1,4aβ-トリメチル-5,6-ジメトキシ-7-イソプロピル-8-ヒドロキシ-1,2,3,4,4a,9aβ-ヘキサヒドロ-9H-フルオレン-9-オン
- (4aS,9aR)-8-ヒドロキシ-5,6-ジメトキシ-1,1,4a-トリメチル-7-(プロパン-2-イル)-2,3,4,4a,9,9a-ヘキサヒドロ-1H-フルオレン-9-オン
- (4aS,9aR)-8-hydroxy-5,6-dimethoxy-1,1,4a-trimethyl-7-(propan-2-yl)-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-one
- (4aS)-1,1,4aβ-Trimethyl-5,6-dimethoxy-7-isopropyl-8-hydroxy-1,2,3,4,4a,9aβ-hexahydro-9H-fluorene-9-one
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