ChemSpider 2D Image | 7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-4-yl (2E)-2-methyl-2-butenoate | C27H36O7

7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC27H36O7
  • Average mass472.570 Da
  • Monoisotopic mass472.246094 Da
  • ChemSpider ID72390960

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Méthyl-2-buténoate de 7-(acétoxyméthyl)-5,6-dihydroxy-3,11,11,14-tétraméthyl-15-oxotétracyclo[7.5.1.01,5.010,12]pentadéca-2,7-dién-4-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 4-[(acetyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2E)- [ACD/Index Name]
7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
7-(Acetoxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
20-O-Acetylingenol-3-angelate
82425-35-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 187.5±23.6 °C
Index of Refraction: 1.575
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8373.92
ACD/KOC (pH 5.5): 22367.77
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8373.11
ACD/KOC (pH 7.4): 22365.59
Polar Surface Area: 110 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site


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