ChemSpider 2D Image | (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-Hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-heptenoic acid | C31H48O5

(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-Hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-heptenoic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID78437315

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-Hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-heptenoic acid [ACD/IUPAC Name]
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-Hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalin-3-yl]-6-methyl-5-heptensäure [German] [ACD/IUPAC Name]
1H-Benz[e]indene-6-propanoic acid, 3-[(1R)-1-carboxy-5-methyl-4-hexen-1-yl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-2-hydroxy-3a,6,9b-trimethyl-7-(1-methylethenyl)-, α-methyl ester, (2R,3R,3aR,6S,7S,9bR)- [ACD/Index Name]
Acide (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-7-isopropényl-6-(3-méthoxy-3-oxopropyl)-3a,6,9b-triméthyl-2,3,3a,4,5,6,7,8,9,9b-décahydro-1H-cyclopenta[a]naphtalén-3-yl]-6-méthyl-5-hepténoïque [French] [ACD/IUPAC Name]
Poricoic acid GM

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 184.6±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 38845.75
ACD/KOC (pH 5.5): 35370.19
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 610.37
ACD/KOC (pH 7.4): 555.76
Polar Surface Area: 84 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 458.3±5.0 cm3

Click to predict properties on the Chemicalize site


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