ChemSpider 2D Image | (1R,5R,6R)-6-{(2E,6E)-3,7-Dimethyl-8-[(2R,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,6-octadien-1-yl}-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate | C26H38O7

(1R,5R,6R)-6-{(2E,6E)-3,7-Dimethyl-8-[(2R,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,6-octadien-1-yl}-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate

  • Molecular FormulaC26H38O7
  • Average mass462.576 Da
  • Monoisotopic mass462.261749 Da
  • ChemSpider ID58827789

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,5R,6R)-6-{(2E,6E)-3,7-Dimethyl-8-[(2R,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,6-octadien-1-yl}-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate [ACD/IUPAC Name]
(1R,5R,6R)-6-{(2E,6E)-3,7-Dimethyl-8-[(2R,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,6-octadien-1-yl}-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
1187652-02-3 [RN]
2(3H)-Furanone, 5-[(2E,6E)-8-[(1R,2R,6R)-2-(acetyloxy)-3,4-dimethoxy-6-methyl-5-oxo-3-cyclohexen-1-yl]-2,6-dimethyl-2,6-octadien-1-yl]dihydro-3-methyl-, (3S,5R)- [ACD/Index Name]
Acétate de (1R,5R,6R)-6-{(2E,6E)-3,7-diméthyl-8-[(2R,4S)-4-méthyl-5-oxotétrahydro-2-furanyl]-2,6-octadién-1-yl}-2,3-diméthoxy-5-méthyl-4-oxo-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
4-ACETYLANTROQUINONOL B

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

72XZO87CZJ [DBID]
UNII:72XZO87CZJ [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 260.6±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1320.68
ACD/KOC (pH 5.5): 5963.00
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1320.68
ACD/KOC (pH 7.4): 5963.00
Polar Surface Area: 88 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 414.2±5.0 cm3

Click to predict properties on the Chemicalize site


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