[(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-二甲基庚-3-烯-2-基]-10,13-二甲基-2,3,4,5,6,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-基](9E,12E)-十八碳-9,12-二烯酸酯
[CAS# 138349-20-9]

基本信息

• 产品名称: [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-二甲基庚-3-烯-2-基]-10,13-二甲基-2,3,4,5,6,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-基](9E,12E)-十八碳-9,12-二烯酸酯
• 英文名: [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] (9E,12E)-Octadeca-9,12-Dienoate
• 别名: [(3S,9R,10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] (9E,12E)-Octadeca-9,12-Dienoate; (9E,12E)-Octadeca-9,12-Dienoic Acid [(3S,9R,10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Ergosta-7,22-Dien-3-Ol, 9,12-Octadecadienoate, (3Beta(9Z,12Z),22E)-
• 分子式: C₄₆H₇₆O₂
• 分子量: 661.11
• CAS 登录号: 138349-20-9
• 分子行输入简码 SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](\C=C\[C@@H](C(C)C)C)C)(CC[C@H]3C2=CCC4[C@@]3(CC[C@H](OC(=O)CCCCCCC\C=C\C\C=C\CCCCC)C4)C)C
• 国际化学标识码 InChI: 1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,24-25,27,35-39,41-43H,8-11,14,17-23,26,28-34H2,1-7H3/b13-12+,16-15+,25-24+/t36-,37+,38?,39-,41+,42-,43-,45-,46+/m0/s1
• 国际化学标识检索码 InChIKey: UOJOULYYDYIENL-SKWXZYQGSA-N

物理化学性质

• 密度: 0.968g/cm³ （计算值）
• 沸点: 683.586°C at 760 mmHg （计算值）
• 闪点: 367.966°C （计算值）