Cas no 121687-83-0 (b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI))

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI) structure
121687-83-0 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI)
CAS No:121687-83-0
MF:C41H62O14
MW:778.922594547272
CID:193335
PubChem ID:195342
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI) 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-a-L-arabinopyranosyl- (9CI)
    • 6-[(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]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
    • araboglycyrrhizin
    • b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabi...
    • (3beta)-30-hydroxy-11,30-dioxoolean-12-en-3-yl 2-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosiduronic acid
    • 29-hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-pentopyranosylhexopyranosiduronic acid
    • 3-O-(alpha-L-Arabinopyranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid
    • (20S)-3β-[(2-O-α-L-Arabinopyranosyl-α-D-glucopyranuronosyl)oxy]-11-oxoolean-12-en-30-oic acid
    • 121687-83-0
    • DTXSID30923930
    • Inchi： 1S/C41H62O14/c1-36(2)23-8-11-41(7)31(21(42)16-19-20-17-38(4,35(50)51)13-12-37(20,3)14-15-40(19,41)6)39(23,5)10-9-24(36)53-34-30(27(46)26(45)29(54-34)32(48)49)55-33-28(47)25(44)22(43)18-52-33/h16,20,22-31,33-34,43-47H,8-15,17-18H2,1-7H3,(H,48,49)(H,50,51)
    • InChI Key： DTMJARJUCFBMFR-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(C(=O)O)O1)O)O)OC1C(C(C(CO1)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C)CCC(C(=O)O)(C)CC5C4=CC(C32)=O)C1(C)C

Computed Properties

  • Exact Mass: 778.414
  • Monoisotopic Mass: 778.414
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 6
  • Complexity: 1600
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 18
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 230?2

Experimental Properties

  • Density: 1.38
  • Boiling Point: 909.4°Cat760mmHg
  • Flash Point: 270.7°C
  • Refractive Index: 1.611

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI) Related Literature

Related Categories

121687-83-0 (b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI)) Related Products

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