ChemSpider 2D Image | (2R,6R,8S,11S,13S,14S,15S)-14,15-Dihydroxy-4,4,8,18,19,19-hexamethyl-12-methylene-17-oxo-3,5-dioxatetracyclo[13.3.1.0~2,6~.0~8,13~]nonadec-1(18)-en-11-yl (2E)-3-phenylacrylate | C33H42O7

(2R,6R,8S,11S,13S,14S,15S)-14,15-Dihydroxy-4,4,8,18,19,19-hexamethyl-12-methylene-17-oxo-3,5-dioxatetracyclo[13.3.1.02,6.08,13]nonadec-1(18)-en-11-yl (2E)-3-phenylacrylate

  • Molecular FormulaC33H42O7
  • Average mass550.682 Da
  • Monoisotopic mass550.293030 Da
  • ChemSpider ID8706089

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (2R,6R,8S,11S,13S,14S,15S)-14,15-dihydroxy-4,4,8,18,19,19-hexaméthyl-12-méthylène-17-oxo-3,5-dioxatétracyclo[13.3.1.02,6.08,13]nonadéc-1(18)-én-11-yle [French] [ACD/IUPAC Name]
(2R,6R,8S,11S,13S,14S,15S)-14,15-Dihydroxy-4,4,8,18,19,19-hexamethyl-12-methylen-17-oxo-3,5-dioxatetracyclo[13.3.1.02,6.08,13]nonadec-1(18)-en-11-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2R,6R,8S,11S,13S,14S,15S)-14,15-Dihydroxy-4,4,8,18,19,19-hexamethyl-12-methylene-17-oxo-3,5-dioxatetracyclo[13.3.1.02,6.08,13]nonadec-1(18)-en-11-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (3aR,8S,9S,9aS,11S,13aS,14aR)-3a,7,8,9,9a,10,11,12,13,13a,14,14a-dodecahydro-8,9-dihydroxy-2,2,5,13a,15,15-hexamethyl-10-methylene-6-oxo-4,8-methano-6H-benzo[4,5]cyclounde ca[1,2-d]-1,3-dioxol-11-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 206.4±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3628.40
ACD/KOC (pH 5.5): 12292.43
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3628.38
ACD/KOC (pH 7.4): 12292.39
Polar Surface Area: 102 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

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