ChemSpider 2D Image | (1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1,2,3-naphthalenetriol | C20H34O3

(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1,2,3-naphthalenetriol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID33823760

  • 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

(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-Tétraméthyl-4-[(2E)-3-méthyl-2,4-pentadién-1-yl]décahydro-1,2,3-naphtalènetriol [French] [ACD/IUPAC Name]
(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1,2,3-naphthalenetriol [ACD/IUPAC Name]
(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1,2,3-naphthalintriol [German] [ACD/IUPAC Name]
1,2,3-Naphthalenetriol, decahydro-3,4a,8,8-tetramethyl-4-[(2E)-3-methyl-2,4-pentadien-1-yl]-, (1R,2S,3S,4R,4aS,8aS)- [ACD/Index Name]
(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(2E)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
[70387-38-1] [RN]
6??-Hydroxynidorellol
6α-hydroxynidorellol
6α-Hydroxynidorellol
70387-38-1 [RN]
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 408.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 174.5±19.2 °C
Index of Refraction: 1.519
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 832.19
ACD/KOC (pH 5.5): 4284.46
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 832.19
ACD/KOC (pH 7.4): 4284.46
Polar Surface Area: 61 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 313.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement