ChemSpider 2D Image | (2R,5S,7S,8Z,10S,11R,13S)-7-Hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene-2,3,5,10,13-pentayl pentaacetate | C30H42O12

(2R,5S,7S,8Z,10S,11R,13S)-7-Hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene-2,3,5,10,13-pentayl pentaacetate

  • Molecular FormulaC30H42O12
  • Average mass594.647 Da
  • Monoisotopic mass594.267639 Da
  • ChemSpider ID81424409

  • 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

(2R,5S,7S,8Z,10S,11R,13S)-7-Hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-trien-2,3,5,10,13-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(2R,5S,7S,8Z,10S,11R,13S)-7-Hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene-2,3,5,10,13-pentayl pentaacetate [ACD/IUPAC Name]
Bicyclo[9.3.1]pentadeca-3,8,14-triene-2,3,5,7,10,13-hexol, 8-(hydroxymethyl)-4,14,15,15-tetramethyl-, 2,3,5,10,13-pentaacetate, (2R,3E,5S,7S,8Z,10S,11R,13S)- [ACD/Index Name]
Pentaacétate de (2R,5S,7S,8Z,10S,11R,13S)-7-hydroxy-8-(hydroxyméthyl)-4,14,15,15-tétraméthylbicyclo[9.3.1]pentadéca-1(14),3,8-triène-2,3,5,10,13-pentayle [French] [ACD/IUPAC Name]
220384-17-8 [RN]
5-Epicanadensene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 207.1±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.96
ACD/KOC (pH 5.5): 2608.08
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.96
ACD/KOC (pH 7.4): 2608.08
Polar Surface Area: 172 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 473.3±5.0 cm3

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