Chem
J-GLOBAL ID：201007030876772520
Nikkaji number：J2.793.803E
3,5,5-Trimethyl-4-[(3E,5E)-3-methyl-6-iodo-1,3,5-heptatrienylidene]cyclohexane-1α,3β-diol 1-acetate
3,5,5-トリメチル-4-[(3E,5E)-3-メチル-6-ヨード-1,3,5-ヘプタトリエニリデン]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： C19H27IO3
Molecular formula furigana： C19-H27-I-O3
Molecular weight： 430.326
InChI：
InChI=1S/C19H27IO3/c1-13(7-9-14(2)20)8-10-17-18(4,5)11-16(23-15(3)21)12-19(17,6)22/h7-9,16,22H,11-12H2,1-6H3/b13-7+,14-9+/t10?,16-,19+/m0/s1
InChI key：
NVXPDTBEINTOEG-UUZYHGIMSA-N
SMILES：
C/C(=C\C=C(/C)\C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(=O)C)/I
Systematic name (3)：
- 3,5,5-トリメチル-4-[(3E,5E)-3-メチル-6-ヨード-1,3,5-ヘプタトリエニリデン]シクロヘキサン-1α,3β-ジオール1-アセタート
- (1S,3R)-3-ヒドロキシ-4-[(3E,5E)-6-ヨード-3-メチルヘプタ-1,3,5-トリエン-1-イリデン]-3,5,5-トリメチルシクロヘキシル アセタート
- (1S,3R)-3-hydroxy-4-[(3E,5E)-6-iodo-3-methylhepta-1,3,5-trien-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
- 3,5,5-Trimethyl-4-[(3E,5E)-3-methyl-6-iodo-1,3,5-heptatrienylidene]cyclohexane-1α,3β-diol 1-acetate
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