ChemSpider 2D Image | 14-hydroxy-14,15-dihydrogranatumin C | C32H40O10

14-hydroxy-14,15-dihydrogranatumin C

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID60596888

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1R,2R,4S,9S,10S,13R,14S,15S,17R)-9-(3-Furyl)-5-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-17-yl (2E)-2-methyl-2-but ; enoate [ACD/IUPAC Name]
(1R,2R,4S,9S,10S,13R,14S,15S,17R)-9-(3-Furyl)-5-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-17-yl-(2E)-2-methyl-2-but ; enoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2R,4S,9S,10S,13R,14S,15S,17R)-9-(3-furyl)-5-hydroxy-15-(2-méthoxy-2-oxoéthyl)-10,14,16,16-tétraméthyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octa déc-17-yle [French] [ACD/IUPAC Name]
14-hydroxy-14,15-dihydrogranatumin C
7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-12b-hydroxy-4a,7,9,9-tetramethyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,13-dioxo-, methyl est er, (4S,4aS,6aR,7S,8S,10R,11R,11aR,12aS)- [ACD/Index 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: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 748.59
ACD/KOC (pH 5.5): 3971.78
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 748.59
ACD/KOC (pH 7.4): 3971.76
Polar Surface Area: 142 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

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