(z)-7-((1r,2s,3r)-3-(Tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-oxo-cyclopentyl)-hept-5-enoic acid methyl ester

HCID 69367304

基本情報

標準SMILES: COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1c1ccc(C(O[Si](C)(C)C(C)(C)C)C2CCCCC2)cc1
InChIKey: LHNUEVSSCUWSNF-KZLDYYRPSA-N
分子式: C38H64O5Si2
平均分子量: 657.1 g/mol

名称と識別子

優先名称: (z)-7-((1r,2s,3r)-3-(Tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-oxo-cyclopentyl)-hept-5-enoic acid methyl ester
IUPAC: methyl (Z)-7-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[4-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]phenyl]-5-oxocyclopentyl]hept-5-enoate

名称と別名

SCHEMBL5240769LHNUEVSSCUWSNF-KZLDYYRPSA-N(z)-7-((1r,2s,3r)-3-(tert-butyl-dimethyl-silanyloxy)-2-{4-[(tert-butyl-dimethyl-silanyloxy)-cyclohexyl-methyl]-phenyl}-5-oxo-cyclopentyl)-hept-5-enoic acid methyl ester

データベース識別子

PubChem CID: 69367304

物性

構造計算による物性

極性表面積: 61.8 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 16
重原子数: 45
形式電荷: 0
複雑度: 977