Chem
J-GLOBAL ID：200907011498223330   Nikkaji number：J1.961.753J

(1S)-1α-Vinyl-3β-[3-(dichloroacetoxy)-4-methoxybenzyl]-7-methylene-2,3,3aα,4,7,7aα-hexahydro-1H-indene-4β-ol

(1S)-1α-ビニル-3β-[3-(ジクロロアセトキシ)-4-メトキシベンジル]-7-メチレン-2,3,3aα,4,7,7aα-ヘキサヒドロ-1H-インデン-4β-オール
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： C22H24Cl2O4
Molecular formula furigana： C22-H24-CL2-O4
Molecular weight： 423.330
InChI： InChI=1S/C22H24Cl2O4/c1-4-14-11-15(20-16(25)7-5-12(2)19(14)20)9-13-6-8-17(27-3)18(10-13)28-22(26)21(23)24/h4-8,10,14-16,19-21,25H,1-2,9,11H2,3H3/t14-,15-,16+,19+,20+/m1/s1
InChI key： ITJGGBLYWADMOC-ZGMAETJZSA-N
SMILES： COc1ccc(C[C@@H]2C[C@@H](C=C)[C@H]3[C@@H]2[C@@H](O)C=CC3=C)cc1OC(=O)C(Cl)Cl
Systematic name  (3)：
  • (1S)-1α-ビニル-3β-[3-(ジクロロアセトキシ)-4-メトキシベンジル]-7-メチレン-2,3,3aα,4,7,7aα-ヘキサヒドロ-1H-インデン-4β-オール
  • 5-{[(1S,3S,3aS,7S,7aR)-3-エテニル-7-ヒドロキシ-4-メチリデン-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インデン-1-イル]メチル}-2-メトキシフェニル 2,2-ジクロロアセタート
  • 5-{[(1S,3S,3aS,7S,7aR)-3-ethenyl-7-hydroxy-4-methylidene-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]methyl}-2-methoxyphenyl 2,2-dichloroacetate
Other name (1)：
  • (1S)-1α-Vinyl-3β-[3-(dichloroacetoxy)-4-methoxybenzyl]-7-methylene-2,3,3aα,4,7,7aα-hexahydro-1H-indene-4β-ol
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