Found 17 results

Search term: MF = 'C_{37}H_{50}O_{5}'
ChemSpider 2D Image | (1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-vinyl-4-hexen-1-yl]bicyclo[3.3.1]non-3-en-2-one | C37H50O5

(1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-vinyl-4-hexen-1-yl]bicyclo[3.3.1]non-3-en-2-one

  • Molecular FormulaC37H50O5
  • Average mass574.790 Da
  • Monoisotopic mass574.365845 Da
  • ChemSpider ID98612469

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-vinyl-4-hexen-1-yl]bicyclo[3.3.1]non-3-en-2-on [German] [ACD/IUPAC Name]
(1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-vinyl-4-hexen-1-yl]bicyclo[3.3.1]non-3-en-2-one [ACD/IUPAC Name]
(1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-diméthyl-1,7-bis(3-méthyl-2-butén-1-yl)-5-[(2S)-5-méthyl-2-vinyl-4-hexén-1-yl]bicyclo[3.3.1]non-3-én-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]non-3-en-2-one, 3-(3,4-dihydroxybenzoyl)-5-[(2S)-2-ethenyl-5-methyl-4-hexen-1-yl]-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-, (1S,5S,7R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 377.4±28.0 °C
Index of Refraction: 1.561
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.63
ACD/LogD (pH 5.5): 8.41
ACD/BCF (pH 5.5): 815376.81
ACD/KOC (pH 5.5): 299409.06
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 8504.31
ACD/KOC (pH 7.4): 3122.81
Polar Surface Area: 95 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 528.3±3.0 cm3

Click to predict properties on the Chemicalize site


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