ChemSpider 2D Image | bipinnatin b | C24H26O10

bipinnatin b

  • Molecular FormulaC24H26O10
  • Average mass474.457 Da
  • Monoisotopic mass474.152588 Da
  • ChemSpider ID23146156

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,4R,5R,10R,12S,14R,15R)-7,12-Dimethyl-17-oxo-4-(3-oxo-1-propen-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2,5-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,10R,12S,14R,15R)-7,12-Dimethyl-17-oxo-4-(3-oxo-1-propen-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-2,5-diyl diacetate [ACD/IUPAC Name]
11,16,18,19-Tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-4-acetaldehyde, 2,5-bis(acetyloxy)-7,12-dimethyl-α-methylene-17-oxo-, (1R,2S,4R,5R,10R,12S,14R,15R)- [ACD/Index Name]
bipinnatin b
Diacétate de (1R,2S,4R,5R,10R,12S,14R,15R)-7,12-diméthyl-17-oxo-4-(3-oxo-1-propén-2-yl)-11,16,18,19-tétraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadéca-6,8-diène-2,5-diyle [French] [ACD/IUPAC Name]
4-(1-formylvinyl)-7,12-dimethyl-2-methylcarbonyloxy-17-oxo-(2S,4R,5R,12R)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-5-yl acetate(Bipinnatin - B)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 121.82
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.76
ACD/KOC (pH 7.4): 121.82
Polar Surface Area: 134 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

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