Cas no 137476-70-1 (b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI))

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI) structure
137476-70-1 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI)
CAS No:137476-70-1
MF:C42H62O16
MW:822.932095050812
CID:195347
PubChem ID:3083268
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI)
    • 6-[2-carboxy-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]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-gluco...
    • glyeurysaponin
    • 29-hydroxy-11,29-dioxoolean-12-en-3-yl 4-O-hexopyranuronosylhexopyranosiduronic acid
    • 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid-3-O-beta-D-glucuronopyranosyl-(1-4)-beta-D-glucuronopyranoside
    • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-
    • 137476-70-1
    • DTXSID60929804
    • 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)55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)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)
    • InChI Key： WHDJHPHODXMQKD-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(C(=O)O)O1)OC1C(C(C(C(C(=O)O)O1)O)O)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: 822.40386
  • Monoisotopic Mass: 822.404
  • 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: 0
  • Undefined Atom Stereocenter Count : 19
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 267?2

Experimental Properties

  • Density: 1.43
  • Boiling Point: 971.4°C at 760 mmHg
  • Flash Point: 288.1°C
  • Refractive Index: 1.62
  • PSA: 267.04

b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI) Related Literature

Related Categories

137476-70-1 (b-D-Glucopyranosiduronic acid, (3b,20b)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-b-D-glucopyranuronosyl- (9CI)) Related Products

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