ChemSpider 2D Image | ξ-Carotene | C40H60

ξ-Carotene

  • Molecular FormulaC40H60
  • Average mass540.904 Da
  • Monoisotopic mass540.469482 Da
  • ChemSpider ID4444346

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

13587-06-9 [RN]
7,7',8,8'-Tetrahydro-ψ,ψ-carotene [ACD/IUPAC Name]
7,7',8,8'-Tétrahydro-ψ,ψ-carotène [French] [ACD/IUPAC Name]
7,7',8,8'-Tetrahydro-ψ,ψ-carotin [German] [ACD/IUPAC Name]
all-trans-ζ-carotene
ξ-Carotene
ζ-carotene
ψ,ψ-Carotene, 7,7',8,8'-tetrahydro- [ACD/Index Name]
ψ,ψ-Carotene, 7,7',8,8'-tetrahydro-, (9-cis,9'-cis)-
<i>all-trans&lt;/i>-&ζ;-carotene
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05430 [DBID]
CHEBI:28068 [DBID]
  • Miscellaneous

    • Chemical Class:

      The <stereo>all-trans</stereo>-isomer of <greek>zeta</greek>-carotene. ChEBI CHEBI:28068
      The all-trans-isomer of zeta-carotene. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28068, CHEBI:28068

    • Compound Source:

      15-cis-phytoene + 2 an oxidized electron acceptor -> all-trans-zeta-carotene + 2 a reduced electron acceptor PlantCyc CPD1F-98
      15-cis-phytoene + 3 an oxidized electron acceptor -> all-trans neurosporene + 3 a reduced electron acceptor PlantCyc CPD1F-98
      15-cis-phytoene + 4 an oxidized electron acceptor -> all-trans-lycopene + 4 a reduced electron acceptor PlantCyc CPD1F-98
      15-cis-phytoene + 5 an oxidized electron acceptor -> all-trans-3,4-didehydrolycopene + 5 a reduced electron acceptor PlantCyc CPD1F-98
      all-trans-zeta-carotene + 2 an oxidized electron acceptor -> all-trans-lycopene + 2 a reduced electron acceptor PlantCyc CPD1F-98
      Amborella trichopoda PlantCyc CPD1F-98
      Ananas comosus PlantCyc CPD1F-98
      Arabidopsis halleri PlantCyc CPD1F-98
      Arabidopsis lyrata PlantCyc CPD1F-98
      Arabidopsis thaliana col PlantCyc CPD1F-98
      Asparagus officinalis PlantCyc CPD1F-98
      Beta vulgaris subsp. vulgaris PlantCyc CPD1F-98
      Boechera stricta PlantCyc CPD1F-98
      Brachypodium distachyon PlantCyc CPD1F-98
      Brassica napus PlantCyc CPD1F-98
      Brassica rapa FPsc PlantCyc CPD1F-98
      Brassica rapa subsp. pekinensis PlantCyc CPD1F-98
      Cannabis sativa PlantCyc CPD1F-98
      Capsella rubella PlantCyc CPD1F-98
      Carica papaya PlantCyc CPD1F-98
      Chlamydomonas reinhardtii PlantCyc CPD1F-98
      Chromochloris zofingiensis PlantCyc CPD1F-98
      Cucumis sativus PlantCyc CPD1F-98
      Dioscorea rotundata PlantCyc CPD1F-98
      Eucalyptus grandis PlantCyc CPD1F-98
      Eutrema salsugineum PlantCyc CPD1F-98
      Gossypium raimondii PlantCyc CPD1F-98
      Humulus lupulus var. lupulus PlantCyc CPD1F-98
      Leersia perrieri PlantCyc CPD1F-98
      Linum usitatissimum PlantCyc CPD1F-98
      Lotus japonicus PlantCyc CPD1F-98
      Malus domestica PlantCyc CPD1F-98
      Manihot esculenta PlantCyc CPD1F-98
      Marchantia polymorpha PlantCyc CPD1F-98
      Mimulus guttatus PlantCyc CPD1F-98
      Miscanthus sinensis PlantCyc CPD1F-98
      Musa acuminata PlantCyc CPD1F-98
      neurosporene biosynthesis PlantCyc CPD1F-98
      Nicotiana tabacum PlantCyc CPD1F-98
      Oryza glaberrima PlantCyc CPD1F-98
      Oryza punctata PlantCyc CPD1F-98
      Oryza rufipogon PlantCyc CPD1F-98
      Ostreococcus lucimarinus PlantCyc CPD1F-98
      Panicum virgatum PlantCyc CPD1F-98
      Petunia axillaris PlantCyc CPD1F-98
      Physcomitrella patens PlantCyc CPD1F-98
      Populus trichocarpa PlantCyc CPD1F-98
      Prunus persica PlantCyc CPD1F-98
      Ricinus communis PlantCyc CPD1F-98
      Rosa chinensis PlantCyc CPD1F-98
      Rosa multiflora PlantCyc CPD1F-98
      Selaginella moellendorffii PlantCyc CPD1F-98
      Setaria italica PlantCyc CPD1F-98
      Setaria viridis PlantCyc CPD1F-98
      Sorghum bicolor PlantCyc CPD1F-98
      Sphagnum fallax PlantCyc CPD1F-98
      Spinacia oleracea PlantCyc CPD1F-98
      Thellungiella parvula PlantCyc CPD1F-98
      Theobroma cacao PlantCyc CPD1F-98
      Vitis vinifera PlantCyc CPD1F-98
      Volvox carteri PlantCyc CPD1F-98
      Zea mays subsp. mays PlantCyc CPD1F-98

    • Bio Activity:

      all-trans phytofluene + an oxidized electron acceptor -> all-trans-zeta-carotene + a reduced electron acceptor PlantCyc CPD1F-98
      all-trans-zeta-carotene + an oxidized electron acceptor -> all-trans neurosporene + a reduced electron acceptor PlantCyc CPD1F-98

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 640.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 91.2±0.8 kJ/mol
Flash Point: 342.0±24.9 °C
Index of Refraction: 1.517
Molar Refractivity: 186.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 15.98
ACD/LogD (pH 5.5): 13.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 617.0±3.0 cm3

Click to predict properties on the Chemicalize site


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