Cas no 31575-93-6 (Heraclenol)

Heraclenol structure
Heraclenol structure
Product Name:Heraclenol
CAS No:31575-93-6
MF:C16H16O6
MW:304.294645309448
CID:309730
PubChem ID:73253
Update Time:2025-04-19

Heraclenol Chemical and Physical Properties

Names and Identifiers

    • 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-
    • 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
    • Heraclenol
    • HMS2209F04
    • [ "" ]
    • Heraclenol, >=95% (LC/MS-ELSD)
    • CS-0024539
    • 9-[(2R)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one
    • SMR000156207
    • (R)-9-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one
    • 9WSY53477L
    • DTXSID60185468
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-, (R)-
    • FS-9747
    • CHEMBL1173444
    • AKOS037515115
    • Q3785098
    • 31575-93-6
    • HY-N4052
    • UNII-9WSY53477L
    • MLS000574834
    • NSC 306227
    • NSC-306227
    • ACon1_001942
    • komalin
    • 9-(2,3-dihydroxy-3-methylbutoxy)-2H-furo[3,2-g]chromen-2-one
    • NCGC00179981-01
    • (R)-Heraclenol
    • CS-0891248
    • BRD-A77050075-001-01-8
    • HERALENOL
    • 9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone
    • 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
    • 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
    • FT-0776001
    • 26091-76-9
    • Q27165654
    • CHEMBL454062
    • HY-N4052A
    • BDBM50361380
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-
    • MEGxp0_000083
    • CHEBI:93899
    • AKOS032948363
    • NSC306227
    • 139079-42-8
    • A875854
    • ( inverted exclamation markA)-Heraclenol
    • NS00097261
    • Isosaxalin; Heraclenol
    • HMS3344K11
    • DA-53949
    • Inchi: 1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m1/s1
    • InChI Key: FOINLJRVEBYARJ-LLVKDONJSA-N
    • SMILES: O(C1C2=C(C=CC(=O)O2)C=C2C=COC=12)C[C@H](C(C)(C)O)O

Computed Properties

  • Exact Mass: 304.09500
  • Monoisotopic Mass: 304.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 89.1A^2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.386
  • Melting Point: 129-130 °C
  • Boiling Point: 544.3°Cat760mmHg
  • Flash Point: 283°C
  • Refractive Index: 1.63
  • PSA: 93.04000
  • LogP: 2.04980
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

Heraclenol Security Information

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Heraclenol Production Method

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