Chem
J-GLOBAL ID:200907057338287544
Nikkaji number:J1.625.846F
(1S)-3α-Allyl-5β-(tert-butyldiphenylsiloxy)-1,3,3aα,4,5,7aα-hexahydroisobenzofuran-1β-carboxylic acid methyl ester
(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-カルボン酸メチル
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Substance type:
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
Molecular formula:
C29 H36 O4 Si
Molecular formula furigana:
C29-H36-O4-SI
Molecular weight:
476.688
InChI:
InChI=1S/C29H36O4Si/c1-6-13-26-25-20-21(18-19-24(25)27(32-26)28(30)31-5)33-34(29(2,3)4,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-19,21,24-27H,1,13,20H2,2-5H3/t21-,24+,25-,26+,27-/m0/s1
InChI key:
CFEAPCZVVYLDNK-FXRJOTQOSA-N
SMILES:
COC(=O)[C@H]1O[C@H](CC=C)[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C[C@@H]12
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-カルボン酸メチル
メチル (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-カルボキシラート
methyl (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-carboxylate
Other name (1):
(1S)-3α-Allyl-5β-(tert-butyldiphenylsiloxy)-1,3,3aα,4,5,7aα-hexahydroisobenzofuran-1β-carboxylic acid methyl ester
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