[(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate

• 常用名: [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate
• 英文名: [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate
• CAS号: 131086-64-1
• 分子量: 536.61100
• 密度: 1.28g/cm3
• 沸点: 612.1ºC at 760mmHg
• 分子式: C₂₈H₄₀O₁₀
• 熔点: N/A
• 闪点: 193.9ºC

名称

• 英文名: [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate

物理化学性质

• 密度: 1.28g/cm3
• 沸点: 612.1ºC at 760mmHg
• 分子式: C₂₈H₄₀O₁₀
• 分子量: 536.61100
• 闪点: 193.9ºC
• 精确质量: 536.26200
• PSA: 130.12000
• LogP: 2.50640
• InChIKey: MZEYOXXDMOFRMK-GUXDWVPKSA-N
• SMILES: CC(=O)OCC12C(OC(C)=O)CC(C)C(C)(C3CC4C=COC4O3)C1CC(O)C(OC(=O)C(C)C)C21CO1
• 蒸汽压: 1.54E-17mmHg at 25°C
• 折射率: 1.553

英文别名

• ajugachin A
• Agrimonolide-6-O-glucopyranoside