ChemSpider 2D Image | frajunolide H | C28H35ClO11

frajunolide H

  • Molecular FormulaC28H35ClO11
  • Average mass583.024 Da
  • Monoisotopic mass582.186768 Da
  • ChemSpider ID24686273

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3aR,4S,6E,8S,8aS,9R,10S,12aS,13S,13aR)-4-Chlor-13a-hydroxy-1,8a-dimethyl-5,12-dimethylen-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,10,13-tetrayl -tetraacetat [German] [ACD/IUPAC Name]
(1R,3aR,4S,6E,8S,8aS,9R,10S,12aS,13S,13aR)-4-Chloro-13a-hydroxy-1,8a-dimethyl-5,12-bis(methylene)-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,10,13-te trayl tetraacetate [ACD/IUPAC Name]
Benzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 8,9,10,13-tetrakis(acetyloxy)-4-chloro-3a,4,5,8,8a,9,10,11,12,12a,13,13a-dodecahydro-13a-hydroxy-1,8a-dimethyl-5,12-bis(methylene)-, (1R,3aR,4S,6E,8S,8aS,9R, 10S,12aS,13S,13aR)- [ACD/Index Name]
frajunolide H
Tetraacétate de (1R,3aR,4S,6E,8S,8aS,9R,10S,12aS,13S,13aR)-4-chloro-13a-hydroxy-1,8a-diméthyl-5,12-diméthylène-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tétradécahydrobenzo[4,5]cyclodéca[1,2-b]furan e-8,9,10,13-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.1±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.63
ACD/KOC (pH 5.5): 740.41
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.61
ACD/KOC (pH 7.4): 740.28
Polar Surface Area: 152 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 442.4±5.0 cm3

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