Chem
J-GLOBAL ID：200907051364471576
Nikkaji number：J1.520.009J
(1aR,2E,8E,10R)-1,1,3,9-Tetramethyl-10-(methylthiocarbonothioyloxy)-1aβ,4,5,6,7,10,11,11aβ-octahydro-1H-cyclopenta[a]cyclopropa[f]cycloundecene-4-one
(3E,5R,7S,9R,10E)-3,6,6,10-テトラメチル-9-{[(メチルスルファニル)メタンチオイル]オキシ}トリシクロ[10.3.0.05,7]ペンタデカ-1(12),3,10-トリエン-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： C21H28O2S2
Molecular formula furigana： C21-H28-O2-S2
Molecular weight： 376.570
InChI：
InChI=1S/C21H28O2S2/c1-12-9-14-7-6-8-15(14)19(22)13(2)10-16-17(21(16,3)4)11-18(12)23-20(24)25-5/h9-10,16-18H,6-8,11H2,1-5H3/b12-9+,13-10+/t16-,17+,18-/m1/s1
InChI key：
KOAFAYCSOGBPNS-UFLBKELXSA-N
SMILES：
CSC(=S)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)/C(=O)C3=C(CCC3)/C=C/1\C)C2(C)C
Systematic name (3)：
- (1aR,2E,8E,10R)-1,1,3,9-テトラメチル-10-(メチルチオカルボノチオイルオキシ)-1aβ,4,5,6,7,10,11,11aβ-オクタヒドロ-1H-シクロペンタ[a]シクロプロパ[f]シクロウンデセン-4-オン
- (3E,5R,7S,9R,10E)-3,6,6,10-テトラメチル-9-{[(メチルスルファニル)メタンチオイル]オキシ}トリシクロ[10.3.0.05,7]ペンタデカ-1(12),3,10-トリエン-2-オン
- (3E,5R,7S,9R,10E)-3,6,6,10-tetramethyl-9-{[(methylsulfanyl)methanethioyl]oxy}tricyclo[10.3.0.05,7]pentadeca-1(12),3,10-trien-2-one
- (1aR,2E,8E,10R)-1,1,3,9-Tetramethyl-10-(methylthiocarbonothioyloxy)-1aβ,4,5,6,7,10,11,11aβ-octahydro-1H-cyclopenta[a]cyclopropa[f]cycloundecene-4-one
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