[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate

• 常用名: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
• 英文名: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
• CAS号: 122587-85-3
• 分子量: 450.56500
• 密度: 1.22g/cm3
• 沸点: 618.1ºC at 760 mmHg
• 分子式: C₂₅H₃₈O₇
• 熔点: N/A
• 闪点: 204.8ºC

名称

• 英文名: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate

物理化学性质

• 密度: 1.22g/cm3
• 沸点: 618.1ºC at 760 mmHg
• 分子式: C₂₅H₃₈O₇
• 分子量: 450.56500
• 闪点: 204.8ºC
• 精确质量: 450.26200
• PSA: 105.59000
• LogP: 2.77240
• InChIKey: NTIOVLZNHFUWFE-MGWQJCOISA-N
• SMILES: CCC(C)C(=O)OC(CC1(C)C(C)CC(O)C2(CO)C1CCCC21CO1)C1=CC(=O)OC1
• 蒸汽压: 7.31E-18mmHg at 25°C
• 折射率: 1.554

英文别名

• Ajugamarin F 1
• Butanoic acid,2-methyl-,1-(2,5-dihydro-5-oxo-3-furanyl)-2-(octahydro-8-hydroxy-8a-(hydroxymethyl)-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl ester,(1R-(1alpha,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))