ChemSpider 2D Image | (1aR,2E,4aR,6S,7S,7aS,8Z,11aS)-4a-Acetoxy-9-(acetoxymethyl)-1,1,3,6-tetramethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl (2E)-3-phenylacrylate | C33H40O7

(1aR,2E,4aR,6S,7S,7aS,8Z,11aS)-4a-Acetoxy-9-(acetoxymethyl)-1,1,3,6-tetramethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl (2E)-3-phenylacrylate

  • Molecular FormulaC33H40O7
  • Average mass548.667 Da
  • Monoisotopic mass548.277405 Da
  • ChemSpider ID58139685

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aR,2E,4aR,6S,7S,7aS,8Z,11aS)-4a-Acetoxy-9-(acetoxymethyl)-1,1,3,6-tetramethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1aR,2E,4aR,6S,7S,7aS,8Z,11aS)-4a-Acetoxy-9-(acetoxymethyl)-1,1,3,6-tetramethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1aR,2E,4aR,6S,7S,7aS,8Z,11aS)-4a-acétoxy-9-(acétoxyméthyl)-1,1,3,6-tétraméthyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-décahydro-1H-cyclopenta[a]cyclopropa[f][11]annulén-7-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (1aR,2E,4aR,6S,7S,7aS,8Z,11aS)-4a-(acetyloxy)-9-[(acetyloxy)methyl]-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1,1,3,6-tetramethyl-4-oxo-1H-cyclopenta[a]cyclopropa[f]cycloundece n-7-yl ester, (2E)- [ACD/Index Name]
[(1R,3E,5R,7S,10Z,12S,13S,14S)-1-acetyloxy-10-(acetyloxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (E)-3-phenylprop-2-enoate
93550-94-8 [RN]
Euphorbia factor L7a

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 263.7±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89967.73
ACD/KOC (pH 5.5): 122381.19
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89967.73
ACD/KOC (pH 7.4): 122381.19
Polar Surface Area: 96 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 461.7±5.0 cm3

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