Cas no 120211-98-5 (1beta-Hydroxyeuscaphic acid)

1beta-Hydroxyeuscaphic acid structure
1beta-Hydroxyeuscaphic acid structure
Product Name:1beta-Hydroxyeuscaphic acid
CAS No:120211-98-5
MF:C30H48O6
MW:504.698530197144
CID:236235
PubChem ID:189735
Update Time:2025-04-19

1beta-Hydroxyeuscaphic acid Chemical and Physical Properties

Names and Identifiers

    • Urs-12-en-28-oicacid, 1,2,3,19-tetrahydroxy-, (1b,2a,3a)-
    • 1β-Hydroxyeuscaphic acid
    • [ "" ]
    • 1beta-Hydroxyeuscaphic acid
    • 1beta-hydroxy-euscaphic acid
    • F94001
    • (1R,2R,4aS,6aS,6aS,6bR,10S,11S,12S,12aR,14bR)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • DTXSID40923269
    • 1,2,3,19-Tetrahydroxyurs-12-en-28-oic acid
    • 120211-98-5
    • FS-7846
    • CHEMBL514595
    • AKOS032961874
    • SCHEMBL5970853
    • PD197573
    • 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid
    • CID 73554041
    • FT-0777089
    • B0005-190098
    • 113558-03-5
    • (1R,2R,4aS,6aS,6bR,10S,11S,12S,12aR,12bS,14bR)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
    • CHEBI:229201
    • DA-49208
    • Inchi: 1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19+,20+,21+,22-,23-,26-,27-,28+,29-,30+/m1/s1
    • InChI Key: VULLSLYDWNGNKZ-JLEXXDIYSA-N
    • SMILES: O[C@@H]1[C@H]([C@H](C(C)(C)C2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@H](C)[C@](C)([C@@H]5C4=CC[C@@H]3[C@]21C)O)O)O

Computed Properties

  • Exact Mass: 504.34500
  • Monoisotopic Mass: 504.34508925 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 1
  • Complexity: 990
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 118
  • Molecular Weight: 504.7

Experimental Properties

  • Color/Form: Powder
  • Density: 1.23±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 619.1±55.0 °C at 760 mmHg
  • Flash Point: 342.2±28.0 °C
  • Solubility: Insuluble (4.4E-3 g/L) (25 oC),
  • PSA: 118.22000
  • LogP: 4.14600
  • Vapor Pressure: 0.0±4.1 mmHg at 25°C

1beta-Hydroxyeuscaphic acid Security Information

1beta-Hydroxyeuscaphic acid Pricemore >>

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