ChemSpider 2D Image | (7S,8S,10S,12S,15Z)-7-Hydroxy-12-[(1S,2E)-1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)-2-propen-1-yl]-3-methyl-5-methylene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one | C30H42O7

(7S,8S,10S,12S,15Z)-7-Hydroxy-12-[(1S,2E)-1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)-2-propen-1-yl]-3-methyl-5-methylene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID10472213

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(7S,8S,10S,12S,15Z)-7-Hydroxy-12-[(1S,2E)-1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)-2-propen-1-yl]-3-methyl-5-methylen-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-on [German] [ACD/IUPAC Name]
(7S,8S,10S,12S,15Z)-7-Hydroxy-12-[(1S,2E)-1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)-2-propen-1-yl]-3-methyl-5-methylene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one [ACD/IUPAC Name]
(7S,8S,10S,12S,15Z)-7-Hydroxy-12-[(1S,2E)-1-hydroxy-3-(4-méthyl-3,6-dihydro-2H-pyran-2-yl)-2-propén-1-yl]-3-méthyl-5-méthylène-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dién-14-one [French] [ACD/IUPAC Name]
fijianolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 229.0±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.04
ACD/KOC (pH 5.5): 2352.03
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.04
ACD/KOC (pH 7.4): 2352.02
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

Click to predict properties on the Chemicalize site


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