Cas no 57586-98-8 (Cycloartane-3,24,25-triol)

Cycloartane-3,24,25-triol structure
Cycloartane-3,24,25-triol structure
Product Name:Cycloartane-3,24,25-triol
CAS No:57586-98-8
MF:C30H52O3
MW:460.732089996338
MDL:MFCD20260788
CID:837638
PubChem ID:5270670
Update Time:2025-09-24

Cycloartane-3,24,25-triol Chemical and Physical Properties

Names and Identifiers

    • Cycloartane-3,24,25-triol
    • (3R,6R)-6-[hydroxy(tetramethyl)[?]yl]-2-methyl-heptane-2,3-diol
    • (24R)-Cycloartane-3.-beta,24,25-triol
    • (24R)-Cycloartanetriol
    • (3R,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol
    • AKOS027251105
    • 57586-98-8
    • CHEMBL225922
    • [ "" ]
    • (24R)-Cycloartane-3beta,24,25-triol
    • (3beta,9beta,24S)-9,19-Cyclolanostane-3,24,25-triol
    • (3S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol
    • (3S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecanyl]-2-methylheptane-2,3-diol
    • DA-48685
    • 57576-29-1
    • (3beta,24xi)-Cycloartane-3,24,25-triol
    • MDL: MFCD20260788
    • Inchi: 1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3
    • InChI Key: BKRIPHYESIGPJC-UHFFFAOYSA-N
    • SMILES: CC(C1C2(C(C3C4(C5(CCC(C(C5CC3)(C)C)O)C4)CC2)(C)CC1)C)CCC(C(O)(C)C)O

Computed Properties

  • Exact Mass: 460.39200
  • Monoisotopic Mass: 460.39164552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 789
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7?2
  • XLogP3: 7.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 572.4±20.0 °C at 760 mmHg
  • Flash Point: 234.2±16.4 °C
  • PSA: 60.69000
  • LogP: 6.33450
  • Vapor Pressure: 0.0±3.6 mmHg at 25°C

Cycloartane-3,24,25-triol Security Information

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