ChemSpider 2D Image | (6Z)-3-(Acetoxymethyl)-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylacrylate | C31H38O7

(6Z)-3-(Acetoxymethyl)-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylacrylate

  • Molecular FormulaC31H38O7
  • Average mass522.629 Da
  • Monoisotopic mass522.261780 Da
  • ChemSpider ID24686564

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (6Z)-3-(acétoxyméthyl)-2-hydroxy-6,8,8,10a-tétraméthyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodécahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundéca[1,2-b]oxirén-4a-yle [French] [ACD/IUPAC Name]
(6Z)-3-(Acetoxymethyl)-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(6Z)-3-(Acetoxymethyl)-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (6Z)-3-[(acetyloxy)methyl]-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-2-hydroxy-6,8,8,10a-tetramethyl-5-oxo-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundec[1,2-b]oxiren-4a- yl ester, (2E)- [ACD/Index Name]
LATILAGASCENE A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 204.2±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8508.37
ACD/KOC (pH 5.5): 22624.25
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8508.37
ACD/KOC (pH 7.4): 22624.23
Polar Surface Area: 102 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 419.1±5.0 cm3

Click to predict properties on the Chemicalize site


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