Glycyrrhizic Acid 甘草酸

CAS 1405-86-3 MFCD01405863

化学结构图

1405-86-3
SMILES: CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C

化学属性

Mol. FormulaC42H62O16
Mol. Weight822.93
Boiling Point971.4°C at 760 mmHg

别名和识别编码

Chemical NameGlycyrrhizic Acid
Chemical Name Translation甘草酸
LabNetwork Molecule IDLN01330832
Synonym Acid, Glycyrrhizic Acid, Glycyrrhizinic Diammonium Glycyrrhizinate Dipotassium Glycyrrhizinate Glycyrrhizate, Zinc Glycyrrhizic Acid Glycyrrhizic acid Glycyrrhizin Glycyrrhizinate, Diammonium Glycyrrhizinate, Dipotassium Glycyrrhizinic Acid Zinc Glycyrrhizate {} {} {} {} {PubChem} Glycyrrhizin {} {} {} {} {} {} {PubChem} Glycyrrhizin {} {} {} {} {} {} {} {} {PubChem} Glycyrrhizin
EC Number258-887-7
Beilstein Registry Number3897076
Reaxys-RN77922
MDL NumberMFCD00065194
PubChem Substance ID14982
Merck Number4505
InChIInChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
CAS Number1405-86-3
Canonical SMILESC[C@]12[C@@](C(C=C3[C@]2(CC[C@]4(C)[C@@]3([H])C[C@](C(O)=O)(C)CC4)C)=O)([H])[C@@]5([C@@](C(C)([C@@H](O[C@]6([H])[C@@H]([C@H]([C@H](O)[C@@H](C(O)=O)O6)O)O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)CC5)C)([H])CC1)C
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安全信息

GHS Symbol
WGK Germany2
Safety Statements
Precautionary statements
RTECSLZ6500000
Storage condition 2-8°C

系列性分类

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