ChemSpider 2D Image | (2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-Pentaacetoxy-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-7-yl 2-methylpropanoate | C34H46O14

(2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-Pentaacetoxy-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-7-yl 2-methylpropanoate

  • Molecular FormulaC34H46O14
  • Average mass678.721 Da
  • Monoisotopic mass678.288757 Da
  • ChemSpider ID21615425

  • 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

(2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-Pentaacetoxy-2,9,9,12-tetramethyl-5-methylen-8,13-dioxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-7-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-Pentaacetoxy-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-7-yl 2-methylpropanoate [ACD/IUPAC Name]
2-Méthylpropanoate de (2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-pentaacétoxy-2,9,9,12-tétraméthyl-5-méthylène-8,13-dioxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodécahydro-1H-cyclopenta[12]annulén-7-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (2R,3R,3aS,4R,6S,7R,10E,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclodode cen-7-yl ester [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: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 275.3±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 966.07
ACD/KOC (pH 5.5): 4767.27
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 966.07
ACD/KOC (pH 7.4): 4767.27
Polar Surface Area: 192 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 549.8±5.0 cm3

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