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Glycyrrhizic acid

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For Research Use Only | Not For Clinical Use
CATAPS1405863
CAS1405-86-3
Structure
MDL NumberMFCD00065194
SynonymsGlycyron, NSC 167409, (3β,20β)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-Glucopyranuronosyl-α-, 18β-Glycyrrhizic acid, Glycyrrhizic acid (8CI), NSC 234419, Glycyrrhetinic acid glycoside, Potenlini, 30-Noroleanane, α-D-glucopyranosiduronic acid deriv.,α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-, 18β-Glycyrrhizinic acid, β-Glycyrrhizin, Glycyrrhizin, Glycyrrhizinic acid
IUPAC Name(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,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
Molecular Weight822.93
Molecular FormulaC42H62O16
Canonical SMILESCC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)C(=O)O
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
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass822.4038
FormatNeat
Size25MG
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS1405863-25MG 25MG Subcategory: Nutritional composition compounds Inquiry
APS1405863-10MG 10MG Room Temperature 2-8°C Fridge/Coldroom Subcategory: Chiral molecules Inquiry
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