Cas no 103000-77-7 (b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-)

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- structure
103000-77-7 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-
CAS No:103000-77-7
MF:C42H62O16
MW:822.932095050812
CID:172917
PubChem ID:128229
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-
    • (3β)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuro nosyl-β-D-glucopyranosiduronic acid
    • b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-gluco...
    • uralsaponin A
    • DerMacrin
    • glycyron
    • glycyrrhetinic acid glycoside
    • Glycyrrhitin
    • Glycyrrhizic
    • GLYCYRRHIZIN
    • Glycyrrhizine
    • liquorice
    • Potenlini
    • Glycyrrhezinic acid
    • (20S)-3β-[(2-O-β-D-Glucopyranuronosyl-β-D-glucopyranuronosyl)oxy]-11-oxooleana-12-ene-30-oic acid
    • (18β)-3β-[2-O-(β-D-Glucopyranuronosyl)-β-D-glucopyranuronosyloxy]-11-oxooleana-12-ene-30-oic acid
    • 20β-Carboxy-11-oxo-30-norolean-12-en-3β-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
    • C02284
    • (3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid
    • D00157
    • Glycyrrhizin (JAN)
    • 103000-77-7
    • AKOS016036159
    • AC1L2TF0
    • CHEBI:561823
    • 3-Hydroxy-11 oxoolean-12-en-30-oic acid-3-O-glucuronopyranosyl-(1-2)glucuronopyranoside
    • Glycyrrhizinate
    • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-
    • AKOS037514680
    • (2S,3S,4S,5R,6R)-6-[(2R,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-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
    • (2S,3S,4S,5R,6R)-6-[(2R,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
    • 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
    • InChI Key： LPLVUJXQOOQHMX-MOGLOQIBSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C(=O)O)(C)C[C@H]5C4=CC([C@@H]32)=O)C1(C)C

Computed Properties

  • Exact Mass: 822.403786g/mol
  • Monoisotopic Mass: 822.403786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 7
  • Complexity: 1730
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 19
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 822.9g/mol
  • XLogP3: 3.7
  • Topological Polar Surface Area: 267?2

Experimental Properties

  • Color/Form: Crystals from glacial acetic acid
  • Density: 1.43
  • Melting Point: 220 °C decomposes
  • Boiling Point: 971.4°Cat760mmHg
  • Flash Point: 288.1°C
  • Refractive Index: 1.62
  • Solubility: Freely sol in hot water, alcohol; practically insol in ether
  • PSA: 267.04000
  • LogP: log Kow = 2.80

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Related Literature

Related Categories

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