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胶苍术甙
Gummiferin
胶苍术甙
,
羧基苍术苷, Dipotassium dihydrogen 15α-hydroxy-2β-((2-O-isovaleryl-3,4-di-O-sulphonato-β-D-glucopyranosyl)oxy)kaur-16-ene-18,19-dioate, Hydrogen potassium (2β,15α)-15-hydroxy-2-{[2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-β-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioate (2:2:1), CARBOXYATRACTYLOSIDE DIPOTASSIUM SALT TRIHYDRATE, Carboxyatractyloside, CARBOXYATRACTYLOSIDE DIPOTASSIUM SALT, Gummiferin, EINECS 251-444-9
CAS号: 33286-30-5
IUPAC名称: (1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
分子式: C31H44K2O18S2
分子量: 846.997
InChI: InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1
InChIKey: AQFATIOBERWBDY-LNQSNDDKSA-N
SMILES: -
EINECS: CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O
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