ChemSpider 2D Image | (1S,3S,5S,8S,11R,12R,16R)-11,14,18,21,21-Pentamethyl-7-methylene-19-oxo-3-phenyl-2,4,13,15-tetraoxapentacyclo[15.3.1.0~1,5~.0~6,11~.0~12,16~]henicos-17-en-8-yl (2E)-3-phenylacrylate | C38H42O7

(1S,3S,5S,8S,11R,12R,16R)-11,14,18,21,21-Pentamethyl-7-methylene-19-oxo-3-phenyl-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicos-17-en-8-yl (2E)-3-phenylacrylate

  • Molecular FormulaC38H42O7
  • Average mass610.736 Da
  • Monoisotopic mass610.293030 Da
  • ChemSpider ID9321593

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1S,3S,5S,8S,11R,12R,16R)-11,14,18,21,21-Pentamethyl-7-methylen-19-oxo-3-phenyl-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicos-17-en-8-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(1S,3S,5S,8S,11R,12R,16R)-11,14,18,21,21-Pentamethyl-7-methylene-19-oxo-3-phenyl-2,4,13,15-tetraoxapentacyclo[15.3.1.01,5.06,11.012,16]henicos-17-en-8-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1S,3S,5S,8S,11R,12R,16R)-11,14,18,21,21-pentaméthyl-7-méthylène-19-oxo-3-phényl-2,4,13,15-tétraoxapentacyclo[15.3.1.01,5.06,11.012,16]hénicos-17-én-8-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (2S,3aS,7aR,10aR,10bR,13S,14bS)-5,7a,10a,10b,11,12,13,14,14a,14b-decahydro-6,9,10b,15,15-pentamethyl-14-methylene-5-oxo-2-phenyl-4H-3a,7-methanobenzo[3,4]-1,3-dioxolo[5,6] cyclodeca[1,2-d][1,3]dioxol-13-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 296.4±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 169.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 161822.08
ACD/KOC (pH 5.5): 186297.05
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 161822.08
ACD/KOC (pH 7.4): 186297.05
Polar Surface Area: 80 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 488.0±5.0 cm3

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