ChemSpider 2D Image | Lepidolide | C30H40O6

Lepidolide

  • Molecular FormulaC30H40O6
  • Average mass496.635 Da
  • Monoisotopic mass496.282501 Da
  • ChemSpider ID57566598

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E,4E,6R)-6-[(3R,3aR,5aS,6S,10aR,10bS)-6-(2-Carboxyethyl)-3a,5a,7,10b-tetramethyl-8-oxo-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-1H-cyclopenta[7,8]naphtho[2,3-b]furan-3-yl]-2-methyl-2,4-heptadienoic acid [ACD/IUPAC Name]
(2E,4E,6R)-6-[(3R,3aR,5aS,6S,10aR,10bS)-6-(2-Carboxyethyl)-3a,5a,7,10b-tetramethyl-8-oxo-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-1H-cyclopenta[7,8]naphtho[2,3-b]furan-3-yl]-2-methyl-2,4-heptadiensäure [German] [ACD/IUPAC Name]
(3R,3aR,5aS,6S,10aR,10bS)-3-[(1R,2E,4E)-5-Carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-1H-cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid
1H-Cyclopenta[7,8]naphtho[2,3-b]furan-6-propanoic acid, 3-[(1R,2E,4E)-5-carboxy-1-methyl-2,4-hexadien-1-yl]-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-3a,5a,7,10b-tetramethyl-8-oxo-, (3R,3aR,5aS,6S,10aR,10bS )- [ACD/Index Name]
605664-52-6 [RN]
Acide (2E,4E,6R)-6-[(3R,3aR,5aS,6S,10aR,10bS)-6-(2-carboxyéthyl)-3a,5a,7,10b-tétraméthyl-8-oxo-2,3,3a,4,5,5a,6,8,10a,10b-décahydro-1H-cyclopenta[7,8]naphto[2,3-b]furan-3-yl]-2-méthyl-2,4-heptadiénoïqu e [French] [ACD/IUPAC Name]
Lepidolide [Wiki]
(2E,4E)-6-[(3R,3aR,5aS,6S,10aR,10bS)-6-(2-Carboxyethyl)-3a,5a,7,10b-tetramethyl-8-oxo-2,3,3a,4,5,5a,6,8,10a,10b-decahydro-1H-cyclopenta[7,8]naphtho[2,3-b]furan-3-yl]-2-methylhepta-2,4-dienoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 226.7±15.3 °C
Index of Refraction: 1.578
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 436.83
ACD/KOC (pH 5.5): 897.93
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

Click to predict properties on the Chemicalize site


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