Chem
J-GLOBAL ID：200907004692865168
Nikkaji number：J1.625.845H
(1S)-3α-Allyl-5β-(tert-butyldiphenylsiloxy)-1,3,3aα,4,5,7aα-hexahydroisobenzofuran-1β-carbonitrile
(1S)-3α-アリル-5β-(tert-ブチルジフェニルシロキシ)-1,3,3aα,4,5,7aα-ヘキサヒドロイソベンゾフラン-1β-カルボニトリル
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： C28H33NO2Si
Molecular formula furigana： C28-H33-N-O2-SI
Molecular weight： 443.662
InChI：
InChI=1S/C28H33NO2Si/c1-5-12-26-25-19-21(17-18-24(25)27(20-29)30-26)31-32(28(2,3)4,22-13-8-6-9-14-22)23-15-10-7-11-16-23/h5-11,13-18,21,24-27H,1,12,19H2,2-4H3/t21-,24+,25-,26+,27+/m0/s1
InChI key：
FHIVCGNGKRLHJN-ITAPOITPSA-N
SMILES：
CC(C)(C)[Si](O[C@@H]1C[C@@H]2[C@@H](CC=C)O[C@H](C#N)[C@@H]2C=C1)(c1ccccc1)c1ccccc1
Systematic name (3)：
- (1S)-3α-アリル-5β-(tert-ブチルジフェニルシロキシ)-1,3,3aα,4,5,7aα-ヘキサヒドロイソベンゾフラン-1β-カルボニトリル
- (1S,3R,3aS,5R,7aR)-5-[(tert-ブチルジフェニルシリル)オキシ]-3-(プロパ-2-エン-1-イル)-1,3,3a,4,5,7a-ヘキサヒドロ-2-ベンゾフラン-1-カルボニトリル
- (1S,3R,3aS,5R,7aR)-5-[(tert-butyldiphenylsilyl)oxy]-3-(prop-2-en-1-yl)-1,3,3a,4,5,7a-hexahydro-2-benzofuran-1-carbonitrile
- (1S)-3α-Allyl-5β-(tert-butyldiphenylsiloxy)-1,3,3aα,4,5,7aα-hexahydroisobenzofuran-1β-carbonitrile
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