Chem
J-GLOBAL ID：200907076344600500
Nikkaji number：J880.122C
(1R,5β,8S)-1α-Hydroxy-7α-propionyl-8-methoxy-8-(methylthiomethyl)bicyclo[3.2.1]oct-3-en-2-one
(1R,5β,8S)-1α-ヒドロキシ-7α-プロピオニル-8-メトキシ-8-(メチルチオメチル)ビシクロ[3.2.1]オクタ-3-エン-2-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： C14H20O4S
Molecular formula furigana： C14-H20-O4-S
Molecular weight： 284.370
InChI：
InChI=1S/C14H20O4S/c1-4-11(15)10-7-9-5-6-12(16)14(10,17)13(9,18-2)8-19-3/h5-6,9-10,17H,4,7-8H2,1-3H3/t9-,10-,13+,14+/m1/s1
InChI key：
PUMSUODVAOAKQR-JYILRKAJSA-N
SMILES：
CCC(=O)[C@H]1C[C@H]2C=CC(=O)[C@]1(O)[C@@]2(CSC)OC
Systematic name (3)：
- (1R,5β,8S)-1α-ヒドロキシ-7α-プロピオニル-8-メトキシ-8-(メチルチオメチル)ビシクロ[3.2.1]オクタ-3-エン-2-オン
- (1R,5S,7S,8S)-1-ヒドロキシ-8-メトキシ-8-[(メチルスルファニル)メチル]-7-プロパノイルビシクロ[3.2.1]オクタ-3-エン-2-オン
- (1R,5S,7S,8S)-1-hydroxy-8-methoxy-8-[(methylsulfanyl)methyl]-7-propanoylbicyclo[3.2.1]oct-3-en-2-one
- (1R,5β,8S)-1α-Hydroxy-7α-propionyl-8-methoxy-8-(methylthiomethyl)bicyclo[3.2.1]oct-3-en-2-one
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