(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-二羟基-9-(羟基甲基)-2,4a,6a,6b,9,12a-六甲基-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苉-2-羧酸
[CAS# 131177-50-9]

基本信息

• 产品名称: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-二羟基-9-(羟基甲基)-2,4a,6a,6b,9,12a-六甲基-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苉-2-羧酸
• 英文名: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-Dihydroxy-9-(Hydroxymethyl)-2,4a,6a,6b,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2-Carboxylic Acid
• 别名: (2S,3R,4As,6Ar,6As,6Br,9S,10S,12Ar,14Bs)-3,10-Dihydroxy-2,4A,6A,6B,9,12A-Hexamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid; 3Beta,21Alpha,24-Trihydroxyolean-12-En-30-Oic Acid; Olean-12-En-29-Oic Acid, 3,21,23-Trihydroxy-, (3Beta,4Beta,20Beta,21Alpha)-
• 分子式: C₃₀H₄₈O₅
• 分子量: 488.71
• CAS 登录号: 131177-50-9
• 分子行输入简码 SMILES: [C@@]23([C@@H]([C@@]1(C([C@]([C@@H](O)CC1)(CO)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@]([C@H](O)C5)(C(=O)O)C)C)C)C
• 国际化学标识码 InChI: 1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23-,25+,26+,27+,28-,29-,30-/m1/s1
• 国际化学标识检索码 InChIKey: ZXWLSOQCDSAYHO-CXPCWDADSA-N

物理化学性质

• 密度: 1.192g/cm³ （计算值）
• 沸点: 620.574°C at 760 mmHg （计算值）
• 闪点: 343.125°C （计算值）