[(3S,6S)-1-甲基-7-氧代-6-[[(E,2R,3R,4S,5R)-3,4,5-三羟基-2-甲氧基-8-甲基壬-6-烯酰基]氨基]氮杂环庚-3-基]十四烷酸酯
[CAS# 104947-69-5]

基本信息

• 产品名称: [(3S,6S)-1-甲基-7-氧代-6-[[(E,2R,3R,4S,5R)-3,4,5-三羟基-2-甲氧基-8-甲基壬-6-烯酰基]氨基]氮杂环庚-3-基]十四烷酸酯
• 英文名: [(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methylnon-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate
• 别名: [(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-Non-6-Enoyl]Amino]Azepan-3-Yl] Tetradecanoate; Tetradecanoic Acid [(3S,6S)-1-Methyl-7-Oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-1-Oxonon-6-Enyl]Amino]-3-Azepanyl] Ester; Myristic Acid [(3S,6S)-7-Keto-1-Methyl-6-[[(E,2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Methoxy-8-Methyl-Non-6-Enoyl]Amino]Azepan-3-Yl] Ester
• 分子式: C₃₂H₅₈N₂O₈
• 分子量: 598.82
• CAS 登录号: 104947-69-5
• 分子行输入简码 SMILES: [C@H](C(N[C@@H]1C(N(C[C@@H](OC(=O)CCCCCCCCCCCCC)CC1)C)=O)=O)([C@@H]([C@H]([C@@H](/C=C/C(C)C)O)O)O)OC
• 国际化学标识码 InChI: 1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)42-24-19-20-25(32(40)34(4)22-24)33-31(39)30(41-5)29(38)28(37)26(35)21-18-23(2)3/h18,21,23-26,28-30,35,37-38H,6-17,19-20,22H2,1-5H3,(H,33,39)/b21-18+/t24-,25-,26+,28-,29+,30+/m0/s1
• 国际化学标识检索码 InChIKey: PFRKTXMXGDERHT-UCDUEDMDSA-N

物理化学性质

• 密度: 1.113g/cm³ （计算值）
• 沸点: 773.954°C at 760 mmHg （计算值）
• 闪点: 421.872°C （计算值）