ChemSpider 2D Image | (25S)-Delta(7)-dafachronic acid | C27H42O3

(25S)-δ(7)-dafachronic acid

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID26326524

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(25S)-δ(7)-dafachronic acid
(5α,25S)-3-Oxocholest-7-en-26-oic acid [ACD/IUPAC Name]
(5α,25S)-3-Oxocholest-7-en-26-säure [German] [ACD/IUPAC Name]
949004-12-0 [RN]
Acide (5α,25S)-3-oxocholest-7-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-7-en-26-oic acid, 3-oxo-, (5α,25S)- [ACD/Index Name]
(+)-(25S)-3-keto-5α-cholest-7-en-26-oic acid
(+)-(25S)-3-oxo-5α-cholest-7-en-26-oic acid
(+)-(5α,25S)-3-oxocholest-7-en-26-oic acid
(25S),26-3-keto-7-cholestenoic acid
More...
  • Miscellaneous

    • Chemical Class:

      A <greek>Delta</greek><smallsup>7</smallsup>-dafachronic acid that has <stereo>S</stereo> configuration at position 25 (the carbon attached to the carboxy group). ChEBI CHEBI:71556
      A Delta(7)-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group). ChEBI CHEBI:71556
      A Delta7-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71556

    • Bio Activity:

      Ligand of DAF-12, an orphan nuclear receptor, that regulates dauer diapause, reproductive development, fat metabolism, and life span (life cycle) in parasitic nematodes. Sterol-derived hormone. Blocks formation of infective larvae in several parasitic nematodes. Inhibits the dauer-promoting activity of DAF-12. Supports the reproductive development. Hello Bio HB3693

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 299.6±26.6 °C
Index of Refraction: 1.538
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 6293.42
ACD/KOC (pH 5.5): 11000.53
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 101.61
ACD/KOC (pH 7.4): 177.60
Polar Surface Area: 54 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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