Chem
J-GLOBAL ID:202007012758579421
Nikkaji number:J3.749.909I
(1S,8aR)-1-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
(1S,8aR)-1-(3,4-ジメトキシフェニル)-3-メチル-4,5,6,7,8,8a-ヘキサヒドロ-1H-アズレン-2-オン
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Substance type:
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
Molecular formula:
C19 H24 O3
Molecular formula furigana:
C19-H24-O3
Molecular weight:
300.398
InChI:
InChI=1S/C19H24O3/c1-12-14-7-5-4-6-8-15(14)18(19(12)20)13-9-10-16(21-2)17(11-13)22-3/h9-11,15,18H,4-8H2,1-3H3/t15-,18+/m0/s1
InChI key:
KJZATWPQNGXGEW-MAUKXSAKSA-N
SMILES:
C1CCC2=C(C(=O)[C@@H]([C@H]2CC1)c1cc(c(cc1)OC)OC)C
Systematic name (3):
(3S,3aR)-1-メチル-3-(3,4-ジメトキシフェニル)-3a,4,5,6,7,8-ヘキサヒドロアズレン-2(3H)-オン
(1S,8aR)-1-(3,4-ジメトキシフェニル)-3-メチル-1,2,4,5,6,7,8,8a-オクタヒドロアズレン-2-オン
(1S,8aR)-1-(3,4-dimethoxyphenyl)-3-methyl-1,2,4,5,6,7,8,8a-octahydroazulen-2-one
Other name (2):
(1S,8aR)-1-(3,4-ジメトキシフェニル)-3-メチル-4,5,6,7,8,8a-ヘキサヒドロ-1H-アズレン-2-オン
(1S,8aR)-1-(3,4-dimethoxyphenyl)-3-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
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