ChemSpider 2D Image | 1beta,4beta,7alpha-trihydroxyeudesmane | C15H28O3

1β,4β,7α-trihydroxyeudesmane

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID33823618

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4S,4aR,6S,8aR)-6-Isopropyl-4,8a-diméthyldécahydro-1,4,6-naphtalènetriol [French] [ACD/IUPAC Name]
(1R,4S,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydro-1,4,6-naphthalenetriol [ACD/IUPAC Name]
(1R,4S,4aR,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydro-1,4,6-naphthalintriol [German] [ACD/IUPAC Name]
(1R,4S,4aR,6S,8aR)-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4,6-naphthalenetriol
1,4,6-Naphthalenetriol, decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (1R,4S,4aR,6S,8aR)- [ACD/Index Name]
145400-02-8 [RN]
1β,4β,7α-trihydroxyeudesmane
(-)-1β,4β,7α-Trihydroxyeudesmane
(1R,4S,4aR,6S,8aR)-4,8a-dimethyl-6-(propan-2-yl)decahydronaphthalene-1,4,6-triol
(1R,4S,4aR,6S,8aR)-4,8a-dimethyl-6-(propan-2-yl)-decahydronaphthalene-1,4,6-triol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 375.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 170.5±22.5 °C
Index of Refraction: 1.529
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.46
ACD/KOC (pH 5.5): 322.81
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.46
ACD/KOC (pH 7.4): 322.81
Polar Surface Area: 61 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 233.1±3.0 cm3

Click to predict properties on the Chemicalize site


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