ChemSpider 2D Image | (4E)-2-[3-(2-Hydroxy-2-propanyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]-4-methyl-4-hexen-3-yl acetate | C30H42O7

(4E)-2-[3-(2-Hydroxy-2-propanyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]-4-methyl-4-hexen-3-yl acetate

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID9873920

  • Double-bond stereo - Double-bond stereo

More details:

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(4E)-2-[3-(2-Hydroxy-2-propanyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]-4-methyl-4-hexen-3-yl acetate [ACD/IUPAC Name]
(4E)-2-[3-(2-Hydroxy-2-propanyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]-4-methyl-4-hexen-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4E)-2-[3-(2-hydroxy-2-propanyl)-6a,12b-diméthyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodécahydropyrano[3,2-a]xanthén-9-yl]-4-méthyl-4-hexén-3-yle [French] [ACD/IUPAC Name]
Pyrano[3,2-a]xanthene-8,11-dione, 9-[(3E)-2-(acetyloxy)-1,3-dimethyl-3-penten-1-yl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl- [ACD/Index Name]
stemphone C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±6.0 kJ/mol
Flash Point: 193.7±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8103.05
ACD/KOC (pH 5.5): 21847.45
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8103.05
ACD/KOC (pH 7.4): 21847.45
Polar Surface Area: 99 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 433.5±5.0 cm3

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