Chem
J-GLOBAL ID：201307013062178768
Nikkaji number：J3.160.234C
3-[(1S)-1α-(2-Hydroxyethyl)-3β-hydroxy-8-methoxy-1,2,4aα,6-tetramethyl-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-2α-yl]acrylic acid ethyl ester
3-[(1S)-1α-(2-ヒドロキシエチル)-3β-ヒドロキシ-8-メトキシ-1,2,4aα,6-テトラメチル-1,2,3,4,4a,9,10,10aβ-オクタヒドロフェナントレン-2α-イル]アクリル酸エチル
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： C26H38O5
Molecular formula furigana： C26-H38-O5
Molecular weight： 430.585
InChI：
InChI=1S/C26H38O5/c1-7-31-23(29)10-11-26(5)22(28)16-24(3)19-14-17(2)15-20(30-6)18(19)8-9-21(24)25(26,4)12-13-27/h10-11,14-15,21-22,27-28H,7-9,12-13,16H2,1-6H3/t21-,22-,24-,25-,26+/m0/s1
InChI key：
DNNAKSVLMRKIBQ-SDIXAGHWSA-N
SMILES：
CCOC(=O)C=C[C@]1(C)[C@@H](O)C[C@]2(C)[C@H](CCc3c(OC)cc(C)cc23)[C@]1(C)CCO
Systematic name (3)：
- 3-[(1S)-1α-(2-ヒドロキシエチル)-3β-ヒドロキシ-8-メトキシ-1,2,4aα,6-テトラメチル-1,2,3,4,4a,9,10,10aβ-オクタヒドロフェナントレン-2α-イル]アクリル酸エチル
- エチル 3-[(1S,2S,3S,4aR,10aS)-3-ヒドロキシ-1-(2-ヒドロキシエチル)-8-メトキシ-1,2,4a,6-テトラメチル-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-2-イル]プロパ-2-エノアート
- ethyl 3-[(1S,2S,3S,4aR,10aS)-3-hydroxy-1-(2-hydroxyethyl)-8-methoxy-1,2,4a,6-tetramethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-yl]prop-2-enoate
- 3-[(1S)-1α-(2-Hydroxyethyl)-3β-hydroxy-8-methoxy-1,2,4aα,6-tetramethyl-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-2α-yl]acrylic acid ethyl ester
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