商陆种苷 P
[CAS# 60820-96-4]

基本信息

• 产品名称: 商陆种苷 P
• 英文名: Esculentoside P
• 别名: (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-11-Hydroxy-2,6A,6B,9,12A-Pentamethyl-9-Methylol-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid
• 分子式: C₃₆H₅₆O₁₂
• 分子量: 680.83
• CAS 登录号: 60820-96-4
• 分子行输入简码 SMILES: [C@]23(C([C@@]([C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C2)O)(CO)C)CC[C@]4([C@]5(C(=CC[C@H]34)[C@@H]6[C@@](C(=O)O)(CC5)CC[C@](C6)(C(=O)O)C)C)C)C
• 国际化学标识码 InChI: 1S/C36H56O12/c1-31(29(43)44)10-12-36(30(45)46)13-11-34(4)18(19(36)14-31)6-7-23-32(2)15-20(39)27(33(3,17-38)22(32)8-9-35(23,34)5)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20+,21-,22?,23-,24-,25+,26-,27+,28+,31-,32+,33+,34-,35-,36+/m1/s1
• 国际化学标识检索码 InChIKey: HYBMIQRHHBBMMB-VZOUTUJFSA-N

物理化学性质

• 密度: 1.395g/cm³ （计算值）
• 沸点: 851.097°C at 760 mmHg （计算值）
• 闪点: 261.303°C （计算值）