[2-[(8S,9S,10R,13S,14S,17R)-17-羟基-10,13-二甲基-3,11-二氧代-6,7,8,9,12,14,15,16-八氢环戊烯并[a]菲-17-基]-2-氧代乙基]十六烷酸酯
[CAS# 39007-81-3]

基本信息

• 产品名称: [2-[(8S,9S,10R,13S,14S,17R)-17-羟基-10,13-二甲基-3,11-二氧代-6,7,8,9,12,14,15,16-八氢环戊烯并[a]菲-17-基]-2-氧代乙基]十六烷酸酯
• 英文名: [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hexadecanoate
• 别名: [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hexadecanoate; Hexadecanoic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Palmitic Acid [2-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-3,11-Diketo-10,13-Dimethyl-6,7,8,9,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• 分子式: C₃₇H₅₆O₆
• 分子量: 596.85
• CAS 登录号: 39007-81-3
• EINECS 登录号: 254-246-0
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)C(=O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)CCCCCCCCCCCCCCC)C
• 国际化学标识码 InChI: 1S/C37H56O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h20,22,24,29-30,34,42H,4-19,21,23,25-26H2,1-3H3/t29-,30-,34+,35-,36-,37-/m0/s1
• 国际化学标识检索码 InChIKey: NVYPOGVSAYIAHI-DEOBSOAFSA-N

物理化学性质

• 密度: 1.112g/cm³ （计算值）
• 沸点: 707.734°C at 760 mmHg （计算值）
• 闪点: 211.954°C （计算值）