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Search term: 26375768 (Found by CSID)
ChemSpider 2D Image | 32-hydroxy-ent-guttiferone M | C38H50O7

32-hydroxy-ent-guttiferone M

  • Molecular FormulaC38H50O7
  • Average mass618.799 Da
  • Monoisotopic mass618.355652 Da
  • ChemSpider ID26375768

  • Double-bond stereo - Double-bond stereo

    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-5-[(2E,4S)-4-hydroxy-3,7-dimethyl-2,6-octadien-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]
(1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-[(2E,4S)-4-hydroxy-3,7-dimethyl-2,6-octadien-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]
(1S,5S,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-5-[(2E,4S)-4-hydroxy-3,7-diméthyl-2,6-octadién-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]
32-hydroxy-ent-guttiferone M
Bicyclo[3.3.1]non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-5-[(2E,4S)-4-hydroxy-3,7-dimethyl-2,6-octadien-1-yl]-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-, (1S,5S,7R)- [ACD/Index Name]
(1S,5S,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-5-[(E)-4-hydroxy-3,7-dimethylocta-2,6-dienyl)]-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 421.5±29.4 °C
Index of Refraction: 1.575
Molar Refractivity: 177.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 131387.09
ACD/KOC (pH 5.5): 81039.93
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 1329.99
ACD/KOC (pH 7.4): 820.34
Polar Surface Area: 132 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 537.1±3.0 cm3

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