ChemSpider 2D Image | 3-Acetyl-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-4H-chryseno[12,1-bc]furan-4-one | C26H38O4

3-Acetyl-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-4H-chryseno[12,1-bc]furan-4-one

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID20057096

More details:

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

3-Acetyl-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-4H-chryseno[12,1-bc]furan-4-on [German] [ACD/IUPAC Name]
3-Acetyl-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-4H-chryseno[12,1-bc]furan-4-one [ACD/IUPAC Name]
3-Acétyl-6b-(hydroxyméthyl)-10,10,12a,12c-tétraméthyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadécahydro-4H-chryséno[12,1-bc]furan-4-one [French] [ACD/IUPAC Name]
3-Acetyl-6b-hydroxymethyl-10,10,12a,12c-tetramethyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-5-oxa-cyclopenta[hi]chrysen-4-one
4H-Chryseno[12,1-bc]furan-4-one, 3-acetyl-1,3a,5a,6,6a,6b,7,8,9,10,10a,11,12,12a,12b,12c-hexadecahydro-6b-(hydroxymethyl)-10,10,12a,12c-tetramethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 184.0±19.4 °C
Index of Refraction: 1.534
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1731.13
ACD/KOC (pH 5.5): 7237.59
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1731.13
ACD/KOC (pH 7.4): 7237.59
Polar Surface Area: 64 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 370.2±3.0 cm3

Click to predict properties on the Chemicalize site


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