CAS Registry Number®
1405-86-3
CAS Name
Glycyrrhizic acid
Molecular Formula
C42H62O16
Molecular Mass
822.93
Compound Properties
-
Melting Point (1)
220 °C (decomp)
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=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
InChIKey
InChIKey=LPLVUJXQOOQHMX-QWBHMCJMSA-N
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@@H]4[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(C(=O)C=C6[C@@]2(C)CC[C@]7(C)[C@]6(C[C@](C(O)=O)(C)CC7)[H])[H]
Canonical SMILES
O=C(O)C1OC(OC2C(OC(C(=O)O)C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O
Other Names for this Substance
- α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
- Glycyrrhizic acid
- 30-Noroleanane, α-D-glucopyranosiduronic acid deriv.
- (3β,20β)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid
- Glycyrrhizin
- Glycyrrhizinic acid
- Glycyrrhetinic acid glycoside
- Glycyron
- β-Glycyrrhizin
- 18β-Glycyrrhizic acid
- Potenlini
- NSC 167409
- NSC 234419
- 18β-Glycyrrhizinic acid
- Gancaotiansu
Deleted or Replaced CAS Registry Numbers
139014-59-8, 18933-02-3, 31261-47-9, 47897-48-3, 47897-45-0, 70055-50-4, 79165-07-4, 947339-02-8, 1208112-19-9
