Found 1 result

Search term: BLDHENOMJCHYLR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (13aR)-9-Methoxy-3a,4,5,5a,5b,6,7,11b,12,13-decahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1-one | C20H24O3

(13aR)-9-Methoxy-3a,4,5,5a,5b,6,7,11b,12,13-decahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1-one

  • Molecular FormulaC20H24O3
  • Average mass312.403 Da
  • Monoisotopic mass312.172546 Da
  • ChemSpider ID30650152

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(13aR)-9-Methoxy-3a,4,5,5a,5b,6,7,11b,12,13-decahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1-on [German] [ACD/IUPAC Name]
(13aR)-9-Methoxy-3a,4,5,5a,5b,6,7,11b,12,13-decahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1-one [ACD/IUPAC Name]
(13aR)-9-Méthoxy-3a,4,5,5a,5b,6,7,11b,12,13-décahydro-3H-naphto[2',1':4,5]indéno[1,7a-c]furan-1-one [French] [ACD/IUPAC Name]
1H,3H-Naphth[2',1':4,5]indeno[1,7a-c]furan-1-one, 3a,4,5,5a,5b,6,7,11b,12,13-decahydro-9-methoxy-, (13aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 222.7±24.7 °C
Index of Refraction: 1.596
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 549.57
ACD/KOC (pH 5.5): 3183.55
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.57
ACD/KOC (pH 7.4): 3183.55
Polar Surface Area: 36 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 255.3±5.0 cm3

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