ChemSpider 2D Image | (4E,10E)-3,8,13-Triacetoxy-13a-hydroxy-2,5,9,9,12-pentamethyl-2,3,3a,6,7,8,9,12,13,13a-decahydro-1H-cyclopenta[12]annulen-6-yl benzoate | C33H44O9

(4E,10E)-3,8,13-Triacetoxy-13a-hydroxy-2,5,9,9,12-pentamethyl-2,3,3a,6,7,8,9,12,13,13a-decahydro-1H-cyclopenta[12]annulen-6-yl benzoate

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID4528430

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E,10E)-3,8,13-Triacetoxy-13a-hydroxy-2,5,9,9,12-pentamethyl-2,3,3a,6,7,8,9,12,13,13a-decahydro-1H-cyclopenta[12]annulen-6-yl benzoate [ACD/IUPAC Name]
(4E,10E)-3,8,13-Triacetoxy-13a-hydroxy-2,5,9,9,12-pentamethyl-2,3,3a,6,7,8,9,12,13,13a-decahydro-1H-cyclopenta[12]annulen-6-yl-benzoat [German] [ACD/IUPAC Name]
3aH-Cyclopentacyclododecene-1,3a,4,9,11-pentol, 1,2,3,4,5,8,9,10,11,13a-decahydro-2,5,8,8,12-pentamethyl-, 1,4,9-triacetate 11-benzoate, (6E,12E)- [ACD/Index Name]
Benzoate de (4E,10E)-3,8,13-triacétoxy-13a-hydroxy-2,5,9,9,12-pentaméthyl-2,3,3a,6,7,8,9,12,13,13a-décahydro-1H-cyclopenta[12]annulén-6-yle [French] [ACD/IUPAC Name]
3,8,13-Tris(acetyloxy)-13a-hydroxy-2,5,9,9,12-pentamethyl-2,3,3a,6,7,8,9,12,13,13a-decahydro-1H-cyclopenta[a]cyclododecen-6-yl benzoate
euphornin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 620.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 185.5±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21420.71
ACD/KOC (pH 5.5): 43812.38
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21420.69
ACD/KOC (pH 7.4): 43812.33
Polar Surface Area: 125 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 491.7±5.0 cm3

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