ChemSpider 2D Image | (4aR,5R,8aR,9aS)-5,9a-Dihydroxy-3,5,8a-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one | C15H22O4

(4aR,5R,8aR,9aS)-5,9a-Dihydroxy-3,5,8a-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID28425513
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4aR,5R,8aR,9aS)-5,9a-Dihydroxy-3,5,8a-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4aR,5R,8aR,9aS)-5,9a-Dihydroxy-3,5,8a-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one [ACD/IUPAC Name]
(4aR,5R,8aR,9aS)-5,9a-Dihydroxy-3,5,8a-triméthyl-4a,5,6,7,8,8a,9,9a-octahydronaphto[2,3-b]furan-2(4H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-5,9a-dihydroxy-3,5,8a-trimethyl-, (4aR,5R,8aR,9aS)- [ACD/Index Name]
(4aR,5R,8aR,9aS)-5,9a-dihydroxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
[1231208-53-9]
1231208-53-9 [RN]
4,8-Dihydroxyeudesm-7(11)-en-12,8-olide
MFCD20274817
naphtho[2,3-b]furan-2(4h)-one, 4a,5,6,7,8,8a,9,9a-octahydro-5,9a-dihydroxy-3,5,8a-trimethyl

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

Density: 1.3±0.1 g/cm3
Boiling Point: 456.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 170.6±22.2 °C
Index of Refraction: 1.570
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 117.95
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.88
Polar Surface Area: 67 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 212.7±5.0 cm3

Click to predict properties on the Chemicalize site






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