Cas no 189351-15-3 (2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)-)

2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)- structure
189351-15-3 structure
Product Name:2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)-
CAS No:189351-15-3
MF:C13H20O3
MW:224.296104431152
CID:837656
PubChem ID:10537120
Update Time:2025-04-19

2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one, 4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)-
    • Corchoionol C
    • (4S)-4-Hydroxy-4-[(1E,3S)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl -2-cyclohexen-1-one
    • 2-Cyclohexen-1-one, 4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)-
    • 2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)-
    • 6,9-dihydroxy-4,7-megastigmadien-3-one
    • Corchoionoside C aglycon
    • Corchoiol C
    • AKOS040761525
    • CS-0023951
    • Q27121504
    • CHEMBL4562613
    • FS-10525
    • (4S)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
    • HY-N3621
    • 2-Cyclohexen-1-one, 4-hydroxy-4-[(1E,3S)-3-hydroxy-1-buten-1-yl]-3,5,5-trimethyl-, (4S)-
    • (6S,9S)-vomifoliol
    • CHEBI:49158
    • 189351-15-3
    • (4S)-4-hydroxy-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
    • (4S)-4-hydroxy-4-((E,3S)-3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
    • (4S)-4-hydroxy-4-((1E,3S)-3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
    • DA-62458
    • 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+/m0/s1
    • InChI Key: KPQMCAKZRXOZLB-ZOLRFCATSA-N
    • SMILES: O[C@]1(/C=C/[C@H](C)O)C(C)=CC(CC1(C)C)=O

Computed Properties

  • Exact Mass: 224.14100
  • Monoisotopic Mass: 224.14124450g/mol
  • 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
  • XLogP3: 0.5
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 362.3±42.0 °C at 760 mmHg
  • Flash Point: 187.1±24.4 °C
  • PSA: 57.53000
  • LogP: 1.59980
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)- Security Information

2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)- Pricemore >>

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2-Cyclohexen-1-one,4-hydroxy-4-[(1E,3S)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-, (4S)- Production Method

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