ChemSpider 2D Image | Carapolide F | C28H34O10

Carapolide F

  • Molecular FormulaC28H34O10
  • Average mass530.564 Da
  • Monoisotopic mass530.215210 Da
  • ChemSpider ID16737648

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3R,3aS,5S,7S,9R,9aS,9bR,10aS)-3-(3-Furyl)-5,6-dihydroxy-2',2',3a,6,9a-pentamethyl-1,6'-dioxo-1,3,3a,4,5,5a,8,9,9a,10a-decahydro-6H,6'H-spiro[benzo[f]oxireno[d]isochromene-7,3'-pyran]-9-yl acetate
(3S,3aS,5S,7S,9R,9aS,9bR,10aS)-3-(3-Furyl)-5,6-dihydroxy-2',2',3a,6,9a-pentamethyl-1,6'-dioxo-1,3,3a,4,5,5a,8,9,9a,10a-decahydro-6H,6'H-spiro[benzo[f]oxireno[d]isochromene-7,3'-pyran]-9-yl acetate [ACD/IUPAC Name]
Carapolide F
spiro[naphth[2,1-c]oxireno[d]pyran-7(6H),3'(6'H)-[2H]pyran]-1,6'(10aH)-dione, 9-(acetyloxy)-3-(3-furanyl)-3,3a,4,5,5a,8,9,9a-octahydro-5,6-dihydroxy-2',2',3a,6,9a-pentamethyl-, (3R,3aS,5S,7S,9R,9aS,9bR,10aS)-
Spiro[naphth[2,1-c]oxireno[d]pyran-7(6H),3'(6'H)-[2H]pyran]-1,6'(10aH)-dione, 9-(acetyloxy)-3-(3-furanyl)-3,3a,4,5,5a,8,9,9a-octahydro-5,6-dihydroxy-2',2',3a,6,9a-pentamethyl-, (3S,3aS,5S,7S,9R,9aS,9b R,10aS)- [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: 709.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.48
ACD/KOC (pH 5.5): 280.77
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.48
ACD/KOC (pH 7.4): 280.77
Polar Surface Area: 145 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

Click to predict properties on the Chemicalize site


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