ChemSpider 2D Image | EUPHORBIASTEROID | C32H40O8

EUPHORBIASTEROID

  • Molecular FormulaC32H40O8
  • Average mass552.655 Da
  • Monoisotopic mass552.272339 Da
  • ChemSpider ID13082872

  • 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

(1aR,2E,4aR,6S,7S,7aR,8S,9R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-4-oxo-1,1a,4,4a,5,6,7,7a,8,10,11,11a-dodecahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2'-oxiran]-7-yl phenylacetate [ACD/IUPAC Name]
28649-59-4 [RN]
Benzeneacetic acid, (1aR,2E,4aR,6S,7S,7aR,8S,9R,11aS)-4a,8-bis(acetyloxy)-1,1a,4,4a,5,6,7,7a,8,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-4-oxospiro[9H-cyclopenta[a]cyclopropa[f]cycloundecene-9,2'-oxir an]-7-yl ester [ACD/Index Name]
EUPHORBIASTEROID
(1aR,4aR,6S,7S,7aR,8S,9R,11aS,E)-1,1,3,6-tetramethyl-4-oxo-7-(2-phenylacetoxy)-1,1a,4,6,7,7a,8,10,11,11a-decahydrospiro[cyclopenta[a]cyclopropa[f][11]annulene-9,2'-oxiran]-4a,8(5H)-diyl diacetate
[28649-59-4] [RN]
Euphobiasteroid
MFCD06410946

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 263.9±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14243.79
ACD/KOC (pH 5.5): 32715.45
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14243.79
ACD/KOC (pH 7.4): 32715.45
Polar Surface Area: 109 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 447.3±5.0 cm3

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