18β,20α-甘草酸

IUPAC名称:(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

InChIKey:LPLVUJXQOOQHMX-ZKXOMTPPSA-N

EINECS:未列入EINECS名录

外观:白色至类白色结晶性粉末

熔点:150~280

沸点:>350

密度:1.15

折射率:1.500

闪点:>180 (不易燃)

溶解性:极微溶于水，易溶于乙醇、丙酮、二氯甲烷

蒸汽压:极低 (不易挥发)

LogP:3.7

pKa:~4.5 (弱酸)

MDL号:未查询到MDL号

海关编码:--

PubChem编码:https://pubchem.ncbi.nlm.nih.gov/compound/12889143

SMILES:C[C@]12CC[C@@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O