ChemSpider 2D Image | (1R,3aS,4R,6Z,8S,8aS,9R,10S,11R,12R,12aS,13S,13aR)-8,13a-Dihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[1,2-b]furan-4, 11,13-triyl triacetate | C26H34O11

(1R,3aS,4R,6Z,8S,8aS,9R,10S,11R,12R,12aS,13S,13aR)-8,13a-Dihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[1,2-b]furan-4, 11,13-triyl triacetate

  • Molecular FormulaC26H34O11
  • Average mass522.542 Da
  • Monoisotopic mass522.210083 Da
  • ChemSpider ID44210869

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3aS,4R,6Z,8S,8aS,9R,10S,11R,12R,12aS,13S,13aR)-8,13a-Dihydroxy-1,8a,12-trimethyl-5-methylen-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[1,2-b]furan-4,1 1,13-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,3aS,4R,6Z,8S,8aS,9R,10S,11R,12R,12aS,13S,13aR)-8,13a-Dihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[1,2-b]furan-4, 11,13-triyl triacetate [ACD/IUPAC Name]
9,10-Epoxybenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 4,11,13-tris(acetyloxy)-3a,4,5,8,8a,9,10,11,12,12a,13,13a-dodecahydro-8,13a-dihydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aS,4R,6Z,8S,8aS,9R,10S,1 1R,12R,12aS,13S,13aR)- [ACD/Index Name]
Triacétate de (1R,3aS,4R,6Z,8S,8aS,9R,10S,11R,12R,12aS,13S,13aR)-8,13a-dihydroxy-1,8a,12-triméthyl-5-méthylène-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tétradécahydro-9,10-époxybenzo[4,5]cyclodéca[ 1,2-b]furane-4,11,13-triyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 202.4±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 99.20
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 99.19
Polar Surface Area: 158 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

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