8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate

HCID 3962CAS 79952-43-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
InChIKey: PCZOHLXUXFIOCF-UHFFFAOYSA-N
分子式: C24H36O5
平均分子量: 404.5 g/mol
単同位体質量: 404.25627425

概要

See also: Lovastatin (annotation moved to).

名称と識別子

優先名称: 8-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
IUPAC: [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate

名称と別名

79952-43-58-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoateDTXSID508609798-(2-(4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoateRefChem:1074614DTXCID202087638-(2-(4-Hydroxy-6-oxotetrahydro-2h-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoateMSD 803C24H36O5Lovastatin Impurity 10Lovastatin (MK-803)?orb1224071

名称をさらに表示

SCHEMBL1130742HMS3371B03HMS5080C04Lovastatin (Mevinolin, MK-803)1002345-93-82-Methyl-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester butanoic acidCQB34593s2061

データベース識別子

CAS: 79952-43-5
PubChem CID: 3962
DTXSID: DTXSID50860979

物性

構造計算による物性

XLogP: 4.3
極性表面積: 72.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 29
形式電荷: 0
複雑度: 666

実験および物理化学的性質

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