ChemSpider 2D Image | (1aR,2Z,3aS,6R,6aS,7S,7aS,8R,9R,10S,11R,11aS,12R,12aS)-2-(Acetoxymethyl)-6a,12-dihydroxy-6,8,11a-trimethyl-5-oxo-1a,3a,5,6,6a,7,7a,8,9,10,11,11a,12,12a-tetradecahydro-10,11-epoxybenzo[4,5]oxireno[7,8] cyclodeca[1,2-b]furan-7,9-diyl diacetate | C26H34O12

(1aR,2Z,3aS,6R,6aS,7S,7aS,8R,9R,10S,11R,11aS,12R,12aS)-2-(Acetoxymethyl)-6a,12-dihydroxy-6,8,11a-trimethyl-5-oxo-1a,3a,5,6,6a,7,7a,8,9,10,11,11a,12,12a-tetradecahydro-10,11-epoxybenzo[4,5]oxireno[7,8] cyclodeca[1,2-b]furan-7,9-diyl diacetate

  • Molecular FormulaC26H34O12
  • Average mass538.541 Da
  • Monoisotopic mass538.205017 Da
  • ChemSpider ID35516736

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1aR,2Z,3aS,6R,6aS,7S,7aS,8R,9R,10S,11R,11aS,12R,12aS)-2-(Acetoxymethyl)-6a,12-dihydroxy-6,8,11a-trimethyl-5-oxo-1a,3a,5,6,6a,7,7a,8,9,10,11,11a,12,12a-tetradecahydro-10,11-epoxybenzo[4,5]oxireno[7,8] cyclodeca[1,2-b]furan-7,9-diyl diacetate [ACD/IUPAC Name]
(1aR,2Z,3aS,6R,6aS,7S,7aS,8R,9R,10S,11R,11aS,12R,12aS)-2-(Acetoxymethyl)-6a,12-dihydroxy-6,8,11a-trimethyl-5-oxo-1a,3a,5,6,6a,7,7a,8,9,10,11,11a,12,12a-tetradecahydro-10,11-epoxybenzo[4,5]oxireno[7,8] cyclodeca[1,2-b]furan-7,9-diyl-diacetat [German] [ACD/IUPAC Name]
10,11-Epoxybenz[4,5]oxireno[7,8]cyclodeca[1,2-b]furan-5(6H)-one, 7,9-bis(acetyloxy)-2-[(acetyloxy)methyl]-1a,3a,6a,7,7a,8,9,10,11,11a,12,12a-dodecahydro-6a,12-dihydroxy-6,8,11a-trimethyl-, (1aR,2Z,3aS ,6R,6aS,7S,7aS,8R,9R,10S,11R,11aS,12R,12aS)- [ACD/Index Name]
Diacétate de (1aR,2Z,3aS,6R,6aS,7S,7aS,8R,9R,10S,11R,11aS,12R,12aS)-2-(acétoxyméthyl)-6a,12-dihydroxy-6,8,11a-triméthyl-5-oxo-1a,3a,5,6,6a,7,7a,8,9,10,11,11a,12,12a-tétradécahydro-10,11-époxybenzo[4,5 ]oxiréno[7,8]cyclodéca[1,2-b]furane-7,9-diyle [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: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±6.0 kJ/mol
Flash Point: 213.2±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.39
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.39
Polar Surface Area: 171 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

Click to predict properties on the Chemicalize site


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