Chem
J-GLOBAL ID：201007059516764193
Nikkaji number：J2.793.806J
3,5,5-Trimethyl-4-[(3E)-3-methyl-5-(benzothiazole-2-ylsulfonyl)-1,3-pentadienylidene]cyclohexane-1α,3β-diol 1-acetate
3,5,5-トリメチル-4-[(3E)-3-メチル-5-(ベンゾチアゾール-2-イルスルホニル)-1,3-ペンタジエニリデン]シクロヘキサン-1α,3β-ジオール1-アセタート
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： C24H29NO5S2
Molecular formula furigana： C24-H29-N-O5-S2
Molecular weight： 475.620
InChI：
InChI=1S/C24H29NO5S2/c1-16(12-13-32(28,29)22-25-19-8-6-7-9-20(19)31-22)10-11-21-23(3,4)14-18(30-17(2)26)15-24(21,5)27/h6-10,12,18,27H,13-15H2,1-5H3/b16-12+/t11?,18-,24+/m0/s1
InChI key：
GJQRFQFXKMKPAA-QNMPFLRVSA-N
SMILES：
CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(=C/CS(=O)(=O)c2nc3ccccc3s2)/C)[C@](C)(O)C1
Systematic name (3)：
- 3,5,5-トリメチル-4-[(3E)-3-メチル-5-(ベンゾチアゾール-2-イルスルホニル)-1,3-ペンタジエニリデン]シクロヘキサン-1α,3β-ジオール1-アセタート
- (1S,3R)-4-[(3E)-5-(1,3-ベンゾチアゾール-2-スルホニル)-3-メチルペンタ-1,3-ジエン-1-イリデン]-3-ヒドロキシ-3,5,5-トリメチルシクロヘキシル アセタート
- (1S,3R)-4-[(3E)-5-(1,3-benzothiazole-2-sulfonyl)-3-methylpenta-1,3-dien-1-ylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl acetate
- 3,5,5-Trimethyl-4-[(3E)-3-methyl-5-(benzothiazole-2-ylsulfonyl)-1,3-pentadienylidene]cyclohexane-1α,3β-diol 1-acetate
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