1438-57-9
中文名称
(2R,5S)-4,4'aα,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aβ-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid
英文名称
(2R,5S)-4,4'aα,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aβ-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid
CAS
1438-57-9
分子式
C20H32O3
分子量
320.47
MOL 文件
1438-57-9.mol
1438-57-9 结构式
基本信息
中文别名
胶草酸 英文别名
Grindelic acid(-)-Grindelic Acid
9,13-epoxylabd-7-en-15-oic acid
Grindelic acid >=95% (LC/MS-ELSD)
(5β,9S,10α,13R)-9,13-Epoxylabd-7-en-15-oic acid
(2R,5S)-4,4'aα,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aβ-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid
(2S,5R)-4,4'aβ,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'aα-pentamethylspiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid
物理化学性质
熔点100-101°
比旋光度D -102.2°
沸点434.7±28.0 °C(Predicted)
密度1.07±0.1 g/cm3(Predicted)
储存条件-20°C
酸度系数(pKa)4.34±0.10(Predicted)
形态solid
主要应用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18-,19-,20+/m0/s1
InChIKeyXLWWERNKTLITEF-MVJPYGJCSA-N
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]13CC[C@@](C)(CC(O)=O)O3
LogP5.650 (est)