ChemSpider 2D Image | (1S,2R,4aS,5R,8aS)-1-(Hydroxymethyl)-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-2-naphthalenol | C20H34O3

(1S,2R,4aS,5R,8aS)-1-(Hydroxymethyl)-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-2-naphthalenol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID33823995

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,4aS,5R,8aS)-1-(Hydroxymethyl)-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylendecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
(1S,2R,4aS,5R,8aS)-1-(Hydroxyméthyl)-5-[(3E)-5-hydroxy-3-méthyl-3-pentén-1-yl]-1,4a-diméthyl-6-méthylènedécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(1S,2R,4aS,5R,8aS)-1-(Hydroxymethyl)-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-2-naphthalenol [ACD/IUPAC Name]
1217341-03-1 [RN]
1-Naphthalenemethanol, decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,2R,4aS,5R,8aS)- [ACD/Index Name]
rel-(1R,2S,4aR,5S,8aR)-Decahydro-2-hydroxy-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-1-naphthalenemethanol
(1S,2R,4aS,5R,8aS)-1-(hydroxymethyl)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
90851-50-6 [RN]
ent-Labda-8(17),13E-diene-3β,15,18-triol
MFCD28385998

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±6.0 kJ/mol
Flash Point: 201.5±23.3 °C
Index of Refraction: 1.535
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 256.07
ACD/KOC (pH 5.5): 1842.91
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.07
ACD/KOC (pH 7.4): 1842.91
Polar Surface Area: 61 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 303.1±5.0 cm3

Click to predict properties on the Chemicalize site


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