甘草酸三钠 trisodium glycyrrhizate 71277-78-6

甘草酸三钠 trisodium glycyrrhizate

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iupac名称 IUPAC Name :(2s (2S,3s 3S,4s 4S,5r 5R,6s）-6-[[（3s 6S)-6-[[(3S,4ar 4aR,6ar 6aR,6bs 6bS,8as 8aS,11s 11S,12ar 12aR,14ar 14aR,14bs）-11-羧基-4 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-pic

INCHI InChI :INCHI InChI=1/C43H64O15.3Na/c1-38(2)24-8-11-43(7)33(22(44)17-20-21-18-40(4,37(54)55)13-12-39(21,3)14-15-42(20,43)6)41(24,5)10-9-25(38)57-36-32(30(49)29(48)31(58-36)35(52)53)56-23-16-19(34(50)51)26(45)28(47)27(23)46;;;/h17,19,21,23-33,36,45-49H,8-16,18H2,1-7H3,(H,50,51)(H,52,53)(H,54,55);;;/t19-,21-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33+,36-,39+,40-,41-,42+,43+;;;/m0.../s1

印地 Std.InChI: INCHI InChI=1S/C43H64O15.3Na/c1-38(2)24-8-11-43(7)33(22(44)17-20-21-18-40(4,37(54)55)13-12-39(21,3)14-15-42(20,43)6)41(24,5)10-9-25(38)57-36-32(30(49)29(48)31(58-36)35(52)53)56-23-16-19(34(50)51)26(45)28(47)27(23)46;;;/h17,19,21,23-33,36,45-49H,8-16,18H2,1-7H3,(H,50,51)(H,52,53)(H,54,55);;;/t19-,21-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33+,36-,39+,40-,41-,42+,43+;;;/m0.../s1

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INCHI基 InChIKey :UGVCMKOAZJUGQI-LUJVSLBXBV

标准奇奇 Std.InChIKey: UGVCMKOAZJUGQI-LUJVSLBXSA-N

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微笑 SMILES :C[C@]12cc CC[C@](C[c @ h C@H]1C3=cc CC(= o =O)[C@@H]4[C@]5(cc CC[C@@H](C([C@@H]5cc CC[C@]4([C@@]3(cc CC2)C)C)(C)C)O[C@@H]6[C@@H]([c @ h C@H]([C@@H]([c @ h C@H](O6)C(= o =O)O)O)O)O[C@@H]7C[C@@H]([c @ h C@H]([C@@H]([c @ h C@H]7O)O)O)C(= o =O)O)C)(C)C(= o =O)O.[Na].[Na].[Na]