ChemSpider 2D Image | (3E)-4-(2,3,4-Trihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl)-3-buten-2-one | C18H30O4

(3E)-4-(2,3,4-Trihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl)-3-buten-2-one

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID35013904
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-4-(2,3,4-Trihydroxy-2,5,5,8a-tétraméthyldécahydro-1-naphtalényl)-3-butén-2-one [French] [ACD/IUPAC Name]
(3E)-4-(2,3,4-Trihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl)-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-(2,3,4-Trihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalinyl)-3-buten-2-on [German] [ACD/IUPAC Name]
3-Buten-2-one, 4-(decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-, (3E)- [ACD/Index Name]
(3E)-4-(2,3,4-trihydroxy-2,5,5,8a-tetramethyl-hexahydro-1H-naphthalen-1-yl)but-3-en-2-one
6a,7b,8a-Trihydroxy-14,15-dinor-11-labden-13-one
Sterebin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 399.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 209.4±24.4 °C
Index of Refraction: 1.563
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.95
ACD/KOC (pH 5.5): 377.54
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.95
ACD/KOC (pH 7.4): 377.54
Polar Surface Area: 78 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement