Chem
J-GLOBAL ID：200907066953159822
Nikkaji number：J2.309.092I
(3S)-α-Cyano-α-(tert-butyldimethylsiloxymethyl)-1′,5′-dihydrospiro[cyclohexane-1,3′-[2,4]benzodioxepin]-3β-acetic acid ethyl ester
(3S)-α-シアノ-α-(tert-ブチルジメチルシロキシメチル)-1′,5′-ジヒドロスピロ[シクロヘキサン-1,3′-[2,4]ベンゾジオキセピン]-3β-酢酸エチル
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： C26H39NO5Si
Molecular formula furigana： C26-H39-N-O5-SI
Molecular weight： 473.685
InChI：
InChI=1S/C26H39NO5Si/c1-7-29-23(28)25(18-27,19-32-33(5,6)24(2,3)4)22-13-10-14-26(15-22)30-16-20-11-8-9-12-21(20)17-31-26/h8-9,11-12,22H,7,10,13-17,19H2,1-6H3/t22-,25?/m0/s1
InChI key：
LNWZVFSRPRNQMP-XADRRFQNSA-N
SMILES：
CCOC(=O)C(CO[Si](C)(C)C(C)(C)C)(C#N)[C@H]1CCCC2(C1)OCc1ccccc1CO2
Systematic name (3)：
- (3S)-α-シアノ-α-(tert-ブチルジメチルシロキシメチル)-1′,5′-ジヒドロスピロ[シクロヘキサン-1,3′-[2,4]ベンゾジオキセピン]-3β-酢酸エチル
- エチル 3-[(tert-ブチルジメチルシリル)オキシ]-2-シアノ-2-[(5'S)-1,5-ジヒドロスピロ[2,4-ベンゾジオキセピン-3,1'-シクロヘキサン]-5'-イル]プロパノアート
- ethyl 3-[(tert-butyldimethylsilyl)oxy]-2-cyano-2-[(5'S)-1,5-dihydrospiro[2,4-benzodioxepine-3,1'-cyclohexan]-5'-yl]propanoate
- (3S)-α-Cyano-α-(tert-butyldimethylsiloxymethyl)-1′,5′-dihydrospiro[cyclohexane-1,3′-[2,4]benzodioxepin]-3β-acetic acid ethyl ester
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