Cas no 4418-73-9 (Adonixanthin)

Adonixanthin structure
Adonixanthin structure
Product Name:Adonixanthin
CAS No:4418-73-9
MF:C40H54O3
MW:582.854972362518
CID:1516102
PubChem ID:16061189
Update Time:2025-09-26

Adonixanthin Chemical and Physical Properties

Names and Identifiers

    • 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
    • 1H-isoindole-5-carboxamide, 2,3-dihydro-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-2-(phenylmethyl)-
    • 2-Benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamide
    • 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
    • ADONIXANTHIN
    • (3S,3'R)-dihydroxy-4-keto-beta,beta-carotene
    • all-trans-adonixanthin
    • (3S,3'R)-3,3'-DIHYDROXY-.BETA.,.BETA.-CAROTEN-4-ONE
    • (3S,3'R)-4-Keto-zeaxanthin
    • .BETA.-DORADEXANTHIN
    • LMPR01070016
    • .BETA.,.BETA.-CAROTEN-4-ONE, 3,3'-DIHYDROXY-, (3S,3'R)-
    • beta,beta-Caroten-4-one, 3,3'-dihydroxy-, (3S,3'R)-
    • 4418-73-9
    • SCHEMBL14519499
    • beta-Doradexanthin
    • beta-Caroten-4-one, 3,3'-dihydroxy-
    • CHEBI:80217
    • Adonixanthin/ 4-Ketozeaxanthin
    • Doradexanthin
    • 3,3'-Dihydroxy-beta,beta-carotene-4-one
    • .BETA.-CAROTEN-4-ONE, 3,3'-DIHYDROXY-
    • 3,3'-Dihydroxyechinenone
    • (3S,3'R)-3,3'-Dihydroxy-beta,beta-caroten-4-one
    • Q27149334
    • (3S,3'R)-Adonixanthin
    • 3,3'-dihydroxy-4-keto-beta,beta-carotene
    • 4-Keto-zeaxanthin
    • UNII-PSZ3Q7662U
    • 4-Ketozeaxanthin
    • PSZ3Q7662U
    • All-trans-beta-doradexanthin
    • ALL-TRANS-.BETA.-DORADEXANTHIN
    • (3S,3'R)-4-ketozeaxanthin
    • Adonixanthin
    • Inchi: 1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1
    • InChI Key: YECXHLPYMXGEBI-ZNQVSPAOSA-N
    • SMILES: O[C@@H]1CC(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C([C@H](CC2(C)C)O)=O)/C)/C)C(C)(C)C1

Computed Properties

  • Exact Mass: 361.10635
  • Monoisotopic Mass: 582.40729558g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 10
  • Complexity: 1370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 9
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.6
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 742.2±60.0 °C at 760 mmHg
  • Flash Point: 416.6±29.4 °C
  • PSA: 92.51
  • Vapor Pressure: 0.0±5.6 mmHg at 25°C

Adonixanthin Security Information

Adonixanthin Pricemore >>

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