ChemSpider 2D Image | (1S,4aS,8aS)-4-[2-(5-Ethoxy-3-hydroxytetrahydro-3-furanyl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone | C22H36O5

(1S,4aS,8aS)-4-[2-(5-Ethoxy-3-hydroxytetrahydro-3-furanyl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC22H36O5
  • Average mass380.518 Da
  • Monoisotopic mass380.256287 Da
  • ChemSpider ID28289672

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S,4aS,8aS)-4-[2-(5-Éthoxy-3-hydroxytétrahydro-3-furanyl)éthyl]-1-hydroxy-3,4a,8,8-tétraméthyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(1S,4aS,8aS)-4-[2-(5-Ethoxy-3-hydroxytetrahydro-3-furanyl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(1S,4aS,8aS)-4-[2-(5-Ethoxy-3-hydroxytetrahydro-3-furanyl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 4-[2-(5-ethoxytetrahydro-3-hydroxy-3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1-hydroxy-3,4a,8,8-tetramethyl-, (1S,4aS,8aS)- [ACD/Index Name]
(1S,4aS,8aS)-4-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
(6b)-15,16-epoxy-15-ethoxy-6,13-dihydroxylabd-8-en-7-one
1374328-47-8 [RN]
15,16-Epoxy-15-ethoxy-6β,13-dihydroxylabd-8-en-7-one
15,16-Epoxy-15-ethoxy-6β,13-dihydroxylabd-8-en-7-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 174.5±23.6 °C
Index of Refraction: 1.535
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.87
ACD/KOC (pH 5.5): 2383.86
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.87
ACD/KOC (pH 7.4): 2383.85
Polar Surface Area: 76 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 333.5±5.0 cm3

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