ChemSpider 2D Image | (2aS,3R,5aR,7bR,11S,11aR,12aR,13aR)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-11-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[ 1,7a-c]furan-5,8(11H)-dione | C28H34O7

(2aS,3R,5aR,7bR,11S,11aR,12aR,13aR)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-11-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[ 1,7a-c]furan-5,8(11H)-dione

  • Molecular FormulaC28H34O7
  • Average mass482.565 Da
  • Monoisotopic mass482.230438 Da
  • ChemSpider ID98609000

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2aS,3R,5aR,7bR,11S,11aR,12aR,13aR)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-11-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[ 1,7a-c]furan-5,8(11H)-dion [German] [ACD/IUPAC Name]
(2aS,3R,5aR,7bR,11S,11aR,12aR,13aR)-3-[(2R)-4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-11-hydroxy-3,7b-dimethyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydrooxireno[4',4a']naphtho[2',1':4,5]indeno[ 1,7a-c]furan-5,8(11H)-dione [ACD/IUPAC Name]
(2aS,3R,5aR,7bR,11S,11aR,12aR,13aR)-3-[(2R)-4,5-Diméthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-11-hydroxy-3,7b-diméthyl-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodécahydrooxiréno[4',4a']naphto[2',1':4,5]indéno[1 ,7a-c]furane-5,8(11H)-dione [French] [ACD/IUPAC Name]
5H-Oxireno[4',4a']naphth[2',1':4,5]indeno[1,7a-c]furan-5,8(11H)-dione, 3-[(2R)-3,6-dihydro-4,5-dimethyl-6-oxo-2H-pyran-2-yl]-1,2,2a,3,6,7,7a,7b,12a,13,13a,13b-dodecahydro-11-hydroxy-3,7b-dimethyl-, (2 aS,3R,5aR,7bR,11S,11aR,12aR,13aR)- [ACD/Index 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: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 247.5±26.4 °C
Index of Refraction: 1.617
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.45
ACD/KOC (pH 5.5): 343.03
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.45
ACD/KOC (pH 7.4): 343.03
Polar Surface Area: 102 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 353.6±5.0 cm3

Click to predict properties on the Chemicalize site


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