ChemSpider 2D Image | (3R,6E,13alpha,20S,22E,24S)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol | C28H44O

(3R,6E,13α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol

  • Molecular FormulaC28H44O
  • Average mass396.648 Da
  • Monoisotopic mass396.339203 Da
  • ChemSpider ID62464009

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,6E,13α,14β,17α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol [German] [ACD/IUPAC Name]
(3R,6E,13α,14β,17α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol [ACD/IUPAC Name]
(3R,6E,13α,14β,17α,20S,22E,24S)-9,10-Sécoergosta-5(10),6,8,22-tétraén-3-ol [French] [ACD/IUPAC Name]
(3R,6E,13α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol [German] [ACD/IUPAC Name]
(3R,6E,13α,20S,22E,24S)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol [ACD/IUPAC Name]
(3R,6E,13α,20S,22E,24S)-9,10-Sécoergosta-5(10),6,8,22-tétraén-3-ol [French] [ACD/IUPAC Name]
3-Cyclohexen-1-ol, 3-[(E)-2-[(1S,3aS,7aS)-2,3,3a,6,7,7a-hexahydro-7a-methyl-1-[(1S,2E,4S)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-yl]ethenyl]-4-methyl-, (1R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 503.8±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 218.1±16.5 °C
Index of Refraction: 1.583
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 839549.00
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 839549.00
Polar Surface Area: 20 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 388.5±3.0 cm3

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