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ChemSpider 2D Image | 3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-(2-isopropenyl-5-methyl-4-hexen-1-yl)-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione | C38H50O6

3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-(2-isopropenyl-5-methyl-4-hexen-1-yl)-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

  • Molecular FormulaC38H50O6
  • Average mass602.800 Da
  • Monoisotopic mass602.360718 Da
  • ChemSpider ID10801428

More details:

Date of deprecation: 11:53, May 7, 2024
Reason for deprecation: Deprecate record:

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  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-(2-isopropenyl-5-methyl-4-hexen-1-yl)-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-en-2,9-dion [German] [ACD/IUPAC Name]
3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-(2-isopropenyl-5-methyl-4-hexen-1-yl)-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione [ACD/IUPAC Name]
3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-(2-isopropényl-5-méthyl-4-hexén-1-yl)-8,8-diméthyl-1,7-bis(3-méthyl-2-butén-1-yl)bicyclo[3.3.1]non-3-ène-2,9-dione [French] [ACD/IUPAC Name]
3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
78824-30-3 [RN]
Bicyclo[3.3.1]non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]- [ACD/Index Name]
(-)-Guttiferone E
Camboginol
Garcinol
MFCD03700761

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

C09929 [DBID]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 710.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 109.1±0.0 kJ/mol
Flash Point: 397.6±0.0 °C
Index of Refraction: 1.563
Molar Refractivity: 175.6±0.0 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.26
ACD/LogD (pH 5.5): 10.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2876780.00
ACD/LogD (pH 7.4): 8.22
ACD/BCF (pH 7.4): 194795.28
ACD/KOC (pH 7.4): 29120.64
Polar Surface Area: 112 Å2
Polarizability: 69.6±0.0 10-24cm3
Surface Tension: 43.8±0.0 dyne/cm
Molar Volume: 541.1±0.0 cm3

Click to predict properties on the Chemicalize site


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