ChemSpider 2D Image | (5alpha,7E,17Z,25S)-5,25-Dimethoxy-5,25-epoxyophiobola-7,17,19-trien-3-ol | C27H42O4

(5α,7E,17Z,25S)-5,25-Dimethoxy-5,25-epoxyophiobola-7,17,19-trien-3-ol

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID28488940
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(5α,7E,17Z,25S)-5,25-Dimethoxy-5,25-epoxyophiobola-7,17,19-trien-3-ol [German] [ACD/IUPAC Name]
(5α,7E,17Z,25S)-5,25-Dimethoxy-5,25-epoxyophiobola-7,17,19-trien-3-ol [ACD/IUPAC Name]
(5α,7E,17Z,25S)-5,25-Diméthoxy-5,25-époxyophiobola-7,17,19-trién-3-ol [French] [ACD/IUPAC Name]
1H-3-Oxacyclopenta[5,6]cycloocta[1,2,3-cd]pentalen-1-ol, 7-[(1S,2Z)-1,5-dimethyl-2,4-hexadien-1-yl]-2,2a,4,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-2a,4-dimethoxy-1,9a-dimethyl-, (1R,2aS,4S,4aE,6aS,7R,9aR ,10aS,10bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 529.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 273.9±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17937.83
ACD/KOC (pH 5.5): 38586.49
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17937.83
ACD/KOC (pH 7.4): 38586.49
Polar Surface Area: 48 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 395.8±5.0 cm3

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