ChemSpider 2D Image | 6-deoxocastasterone | C28H50O4

6-deoxocastasterone

  • Molecular FormulaC28H50O4
  • Average mass450.694 Da
  • Monoisotopic mass450.370911 Da
  • ChemSpider ID21864867

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2α,3α,5α,22R,23R,24S)-Ergostan-2,3,22,23-tetrol [German] [ACD/IUPAC Name]
(2α,3α,5α,22R,23R,24S)-Ergostane-2,3,22,23-tetrol [ACD/IUPAC Name]
(2α,3α,5α,22R,23R,24S)-Ergostane-2,3,22,23-tétrol [French] [ACD/IUPAC Name]
6-deoxocastasterone
87833-54-3 [RN]
Ergostane-2,3,22,23-tetrol, (2α,3α,5α,22R,23R,24S)- [ACD/Index Name]
(1S,2S,4R,5S,7S,10R,11S,14R,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane-4,5-diol
(1S,2S,4R,5S,7S,10R,11S,14R,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane-4,5-diol
(22R,23R)-5α-campestane-2α,3α,22,23-tetraol
5097016 [Beilstein]
More...

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

  • Miscellaneous

    • Chemical Class:

      A 3<stereo>alpha</stereo>-hydroxy steroid that is castasterone which is lacking the oxo substituent at position 6. ChEBI CHEBI:20712
      A 3alpha-hydroxy steroid that is castasterone which is lacking the oxo substituent at position 6. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:20712, CHEBI:20712

    • Compound Source:

      Aegilops tauschii PlantCyc CPD-723
      Amaranthus hypochondriacus PlantCyc CPD-723
      Amborella trichopoda PlantCyc CPD-723
      Anacardium occidentale PlantCyc CPD-723
      Ananas comosus PlantCyc CPD-723
      Aquilegia coerulea PlantCyc CPD-723
      Arabidopsis halleri PlantCyc CPD-723
      Arabidopsis lyrata PlantCyc CPD-723
      Arabidopsis thaliana col PlantCyc CPD-723
      Beta vulgaris subsp. vulgaris PlantCyc CPD-723
      Boechera stricta PlantCyc CPD-723
      Brachypodium distachyon PlantCyc CPD-723
      Brassica napus PlantCyc CPD-723
      Brassica oleracea var. capitata PlantCyc CPD-723
      Brassica oleracea var. oleracea PlantCyc CPD-723
      Brassica rapa FPsc PlantCyc CPD-723
      Brassica rapa subsp. pekinensis PlantCyc CPD-723
      brassinosteroid biosynthesis I PlantCyc CPD-723
      Calotropis gigantea PlantCyc CPD-723
      Camptotheca acuminata PlantCyc CPD-723
      Cannabis sativa PlantCyc CPD-723
      Capsella grandiflora PlantCyc CPD-723
      Capsella rubella PlantCyc CPD-723
      Capsicum annuum PlantCyc CPD-723
      Carica papaya PlantCyc CPD-723
      Catharanthus roseus PlantCyc CPD-723
      Chenopodium quinoa PlantCyc CPD-723
      Cicer arietinum PlantCyc CPD-723
      Citrus clementina PlantCyc CPD-723
      Citrus sinensis PlantCyc CPD-723
      Corchorus capsularis PlantCyc CPD-723
      Cucumis sativus PlantCyc CPD-723
      Daucus carota subsp. sativus PlantCyc CPD-723
      Dianthus caryophyllus PlantCyc CPD-723
      Dioscorea rotundata PlantCyc CPD-723
      Eucalyptus grandis PlantCyc CPD-723
      Eutrema salsugineum PlantCyc CPD-723
      Fragaria vesca subsp. vesca PlantCyc CPD-723
      Glycine max PlantCyc CPD-723
      Gossypium raimondii PlantCyc CPD-723
      Helianthus annuus PlantCyc CPD-723
      Hordeum vulgare subsp. vulgare PlantCyc CPD-723
      Humulus lupulus var. lupulus PlantCyc CPD-723
      Kalanchoe fedtschenkoi PlantCyc CPD-723
      Kalanchoe laxiflora PlantCyc CPD-723
      Leersia perrieri PlantCyc CPD-723
      Linum usitatissimum PlantCyc CPD-723
      Lotus japonicus PlantCyc CPD-723
      Malus domestica PlantCyc CPD-723
      Manihot esculenta PlantCyc CPD-723
      Medicago truncatula PlantCyc CPD-723
      Mimulus guttatus PlantCyc CPD-723
      Miscanthus sinensis PlantCyc CPD-723
      Musa acuminata PlantCyc CPD-723
      Nicotiana tabacum PlantCyc CPD-723
      Olea europaea var. sylvestris PlantCyc CPD-723
      Oropetium thomaeum PlantCyc CPD-723
      Oryza brachyantha PlantCyc CPD-723
      Oryza glaberrima PlantCyc CPD-723
      Oryza punctata PlantCyc CPD-723
      Oryza rufipogon PlantCyc CPD-723
      Oryza sativa Japonica Group PlantCyc CPD-723
      Panicum hallii PlantCyc CPD-723
      Panicum virgatum PlantCyc CPD-723
      Petunia axillaris PlantCyc CPD-723
      Phaseolus vulgaris PlantCyc CPD-723
      Populus trichocarpa PlantCyc CPD-723
      Prunus persica PlantCyc CPD-723
      Ricinus communis PlantCyc CPD-723
      Rosa chinensis PlantCyc CPD-723
      Rosa multiflora PlantCyc CPD-723
      Salvia miltiorrhiza PlantCyc CPD-723
      Setaria italica PlantCyc CPD-723
      Setaria viridis PlantCyc CPD-723
      Solanum lycopersicum PlantCyc CPD-723
      Solanum melongena PlantCyc CPD-723
      Solanum pennellii PlantCyc CPD-723
      Solanum tuberosum PlantCyc CPD-723
      Sorghum bicolor PlantCyc CPD-723
      Spinacia oleracea PlantCyc CPD-723
      Spirodela polyrhiza PlantCyc CPD-723
      Thellungiella parvula PlantCyc CPD-723
      Theobroma cacao PlantCyc CPD-723
      Trifolium pratense PlantCyc CPD-723
      Triticum aestivum PlantCyc CPD-723
      Triticum urartu PlantCyc CPD-723
      Vitis vinifera PlantCyc CPD-723
      Zea mays subsp. mays PlantCyc CPD-723
      Zostera marina PlantCyc CPD-723

    • Bio Activity:

      6-deoxocastasterone + NADPH + oxygen + H+ -> 6alpha-hydroxy-castasterone + NADP+ + H2O PlantCyc CPD-723
      6-deoxotyphasterol + a reduced electron acceptor + oxygen -> 6-deoxocastasterone + an oxidized electron acceptor + H2O PlantCyc CPD-723

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 234.7±17.8 °C
Index of Refraction: 1.535
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1083.15
ACD/KOC (pH 5.5): 5174.03
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1083.15
ACD/KOC (pH 7.4): 5174.03
Polar Surface Area: 81 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 415.8±3.0 cm3

Click to predict properties on the Chemicalize site


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