Cas no 128553-98-0 (30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI))

30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI) structure
128553-98-0 structure
Product Name:30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI)
CAS No:128553-98-0
MF:C64H102O30
MW:1351.47670412064
CID:142997
PubChem ID:3083105
Update Time:2025-04-19

30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • yemuoside YM(9)
    • 2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 3)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 30-Noroleana-12
    • 30-Noroleana-12,20(29)-dien-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl(1-6)-.be
    • 3-O-beta-Glucopyranosyl-(1-3)-alpha-rhamnopyranosyl-(1-2)-alpha-arabinopyranosyl-30-noroleana-12,20(29)-dien-28-oic acid 28-O-beta-glucopyranosyl-(1-6)-beta-glucopyranoside
    • 4)-O-b-D-glucopyranosyl-(1&reg
    • 6)-b-D-glucopyranosyl ester, (3b)- (9CI)
    • Yemuoside YM9
    • 30-Noroleana-12,20(29)-dien-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-
    • 128553-98-0
    • 30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI)
    • Inchi： 1S/C64H102O30/c1-24-11-16-64(59(82)94-56-47(79)43(75)40(72)32(89-56)23-84-53-48(80)44(76)50(31(21-66)88-53)91-54-45(77)41(73)36(68)25(2)85-54)18-17-62(7)27(28(64)19-24)9-10-34-61(6)14-13-35(60(4,5)33(61)12-15-63(34,62)8)90-58-52(38(70)29(67)22-83-58)93-57-49(81)51(37(69)26(3)86-57)92-55-46(78)42(74)39(71)30(20-65)87-55/h9,25-26,28-58,65-81H,1,10-23H2,2-8H3
    • InChI Key： VQNYXFCBCCJLPK-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(CO1)O)O)OC1C(C(C(C(C)O1)O)OC1C(C(C(C(CO)O1)O)O)O)O)C1CCC2(C)C(CCC3(C)C4(C)CCC5(C(=O)OC6C(C(C(C(COC7C(C(C(C(CO)O7)OC7C(C(C(C(C)O7)O)O)O)O)O)O6)O)O)O)CCC(=C)CC5C4=CCC32)C1(C)C

Computed Properties

  • Exact Mass: 1350.64566
  • Monoisotopic Mass: 1350.64559183g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 17
  • Hydrogen Bond Acceptor Count: 30
  • Heavy Atom Count: 94
  • Rotatable Bond Count: 16
  • Complexity: 2670
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 37
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.6
  • Topological Polar Surface Area: 472?2

Experimental Properties

  • PSA: 471.74

30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI) Related Literature

Related Categories

128553-98-0 (30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI)) Related Products

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