ChemSpider 2D Image | (5R,5aS,9R,9aR,9bS)-9,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate | C21H32O6

(5R,5aS,9R,9aR,9bS)-9,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate

  • Molecular FormulaC21H32O6
  • Average mass380.475 Da
  • Monoisotopic mass380.219879 Da
  • ChemSpider ID103846898

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R,5aS,9R,9aR,9bS)-9,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate [ACD/IUPAC Name]
(5R,5aS,9R,9aR,9bS)-9,9b-Dihydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (5R,5aS,9R,9aR,9bS)-9,9b-dihydroxy-6,6,9a-triméthyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furan-5-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (5R,5aS,9R,9aR,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9,9b-dihydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-5-yl ester [ACD/Index Name]
(5R,5aS,9R,9aR,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9,9b-dihydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-5-yl ester, hexanoic acid
[(5R,5As,9R,9aR,9bS)-9,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] hexanoate
1623153-14-9 [RN]
Isonanangenine B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 184.9±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 456.26
ACD/KOC (pH 5.5): 2786.57
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 456.22
ACD/KOC (pH 7.4): 2786.33
Polar Surface Area: 93 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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