Found 27 results

Search term: MF = 'C_{28}H_{34}O_{12}'
ChemSpider 2D Image | (5S,5aR,5bR,6S,7aS,8R,10aS,11aR,11bR,13aR)-6-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl ac etate | C28H34O12

(5S,5aR,5bR,6S,7aS,8R,10aS,11aR,11bR,13aR)-6-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl ac etate

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID34237208

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(5S,5aR,5bR,6S,7aS,8R,10aS,11aR,11bR,13aR)-6-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl ac etate [ACD/IUPAC Name]
(5S,5aR,5bR,6S,7aS,8R,10aS,11aR,11bR,13aR)-6-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl-ac etat [German] [ACD/IUPAC Name]
Acétate de (5S,5aR,5bR,6S,7aS,8R,10aS,11aR,11bR,13aR)-6-hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentaméthyl-3,10,12-trioxohexadécahydrooxiréno[4,4a]isochroméno[6,5-g][2]benzoxé pin-5-yle [French] [ACD/IUPAC Name]
Oxireno[4',5']pyrano[4',3':5,6]naphth[2,1-c]oxepin-3,10,12(1H,4H,10aH)-trione, 5-(acetyloxy)-8-(2,5-dihydro-5-hydroxy-2-oxo-3-furanyl)decahydro-6-hydroxy-1,1,5a,7a,11b-pentamethyl-, (5S,5aR,5bR,6S,7aS ,8R,10aS,11aR,11bR,13aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 801.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 265.8±27.8 °C
Index of Refraction: 1.603
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.40
Polar Surface Area: 175 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

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