Cas no 23526-45-6 (Vomifoliol)

Vomifoliol structure
Vomifoliol structure
Product Name:Vomifoliol
CAS No:23526-45-6
MF:C13H20O3
MW:224.296104431152
CID:260373
PubChem ID:5280462
Update Time:2025-04-19

Vomifoliol Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-, (4S)-
    • Blumenol A
    • (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
    • VOMIFOLIOL
    • FS-9636
    • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4S)-
    • 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4S,3R)-(E)-(+/-)-
    • Vomifoliol, (+)-
    • NSC805019
    • 50763-73-0
    • NS00122932
    • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-, (4S)-rel-
    • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
    • CHEMBL463088
    • HY-N1077
    • B7QV234K84
    • (4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,S*-(E))-(+/-)-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-((1E,3R)-3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (4S)-
    • CHEBI:49164
    • (6S,9R)-6-HYDROXY-3-OXO-.ALPHA.-IONOL
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (+-)-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (R*,S*-(E))-
    • (+)-Vomifoliol
    • BDBM50463336
    • DTXSID601009964
    • (S)-4-Hydroxy-4-((R,E)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
    • 23526-45-6
    • (+-)-Blumenol A
    • (6S,7E,9R)-6,9-dihydroxy-4,7-megastigmadien-3-one
    • (6S,9R)-6-hydroxy-3-oxo-alpha-ionol
    • 2-CYCLOHEXEN-1-ONE, 4-HYDROXY-4-(3-HYDROXY-1-BUTENYL)-3,5,5-TRIMETHYL-, (+)-
    • (+/-)-Blumenol-A
    • SCHEMBL1243896
    • CS-0016364
    • FEMA no. 4661, (4S,3R)-(E)-(+/-)-
    • 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (S-(R*,S*-(E)))-
    • Roseoside aglycon
    • KPQMCAKZRXOZLB-KOIHBYQTSA-N
    • (+)-BLUMENOL A
    • (6S,9R)-vomifoliol
    • Vomifoliol, (+-)-
    • UNII-P86438KC5J
    • UNII-B7QV234K84
    • AKOS032948398
    • Q22911785
    • (+-)-6-hydroxy-3-oxo-alpha-ionol
    • (+/-)-Volifoliol
    • C01760
    • P86438KC5J
    • (+-)-Vomifoliol
    • NSC-805019
    • DA-59041
    • G14079
    • Vomifoliol
    • Inchi: 1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
    • InChI Key: KPQMCAKZRXOZLB-KOIHBYQTSA-N
    • SMILES: O[C@]1(/C=C/[C@@H](C)O)C(C)=CC(CC1(C)C)=O

Computed Properties

  • Exact Mass: 224.1413
  • Monoisotopic Mass: 224.141245
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 352
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.5
  • XLogP3: 0.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 362.3±42.0 °C at 760 mmHg
  • Flash Point: 187.1±24.4 °C
  • Refractive Index: 1.567
  • PSA: 57.53
  • LogP: 1.59980
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

Vomifoliol Security Information

Vomifoliol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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