ChemSpider 2D Image | (-)duryne B | C32H52O2

(-)duryne B

  • Molecular FormulaC32H52O2
  • Average mass468.754 Da
  • Monoisotopic mass468.396729 Da
  • ChemSpider ID26647287
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(-)duryne B
(-)-Duryne B
(3R,4E,15Z,28E,30R)-4,15,28-Dotriacontatrien-1,31-diin-3,30-diol [German] [ACD/IUPAC Name]
(3R,4E,15Z,28E,30R)-4,15,28-Dotriacontatriene-1,31-diyne-3,30-diol [ACD/IUPAC Name]
(3R,4E,15Z,28E,30R)-4,15,28-Dotriacontatriène-1,31-diyne-3,30-diol [French] [ACD/IUPAC Name]
1304776-83-7 [RN]
4,15,28-Dotriacontatriene-1,31-diyne-3,30-diol, (3R,4E,15Z,28E,30R)- [ACD/Index Name]
(3R,4E,15Z,28E,30R)-dotriaconta-4,15,28-triene-1,31-diyne-3,30-diol
  • Miscellaneous
    • Chemical Class:

      An enyne that is (4<stereo>E</stereo>,15<stereo>Z</stereo>,28<stereo>E</stereo>)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3<stereo>R</stereo>,30<s tereo>R</stereo>-stereoiosmer). It has been isolated from the marine sponge <ital>Petrosia</ital>. ChEBI CHEBI:67755
      An enyne that is (4E,15Z,28E)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoiosmer). It has been isolated from the marine sponge Petrosia. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67755

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 582.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 228.1±23.3 °C
Index of Refraction: 1.507
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 11.05
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1583530.50
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1583504.50
Polar Surface Area: 40 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 500.9±3.0 cm3

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