Found 5 results

Search term: BBSPXZBAZKHYLF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3R,4aS,6aR,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyldodecahydronaphtho[2,1-f]oxireno[d]isochromene-6,8(2H,7aH)-dione | C26H34O7

(1S,3R,4aS,6aR,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyldodecahydronaphtho[2,1-f]oxireno[d]isochromene-6,8(2H,7aH)-dione

  • Molecular FormulaC26H34O7
  • Average mass458.544 Da
  • Monoisotopic mass458.230438 Da
  • ChemSpider ID31106482

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3R,4aS,6aR,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyldodecahydronaphtho[2,1-f]oxireno[d]isochromen-6,8(2H,7aH)-dion [German] [ACD/IUPAC Name]
(1S,3R,4aS,6aR,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyldodecahydronaphtho[2,1-f]oxireno[d]isochromene-6,8(2H,7aH)-dione [ACD/IUPAC Name]
(1S,3R,4aS,6aR,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-1,3-dihydroxy-4,4,6a,10a,12b-pentaméthyldodécahydronaphto[2,1-f]oxiréno[d]isochromène-6,8(2H,7aH)-dione [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-6,8(2H,7aH)-dione, 10-(3-furanyl)dodecahydro-1,3-dihydroxy-4,4,6a,10a,12b-pentamethyl-, (1S,3R,4aS,6aR,6bR,7aS,10S,10aS,12aR,12bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.9±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.17
ACD/KOC (pH 5.5): 408.19
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.17
ACD/KOC (pH 7.4): 408.19
Polar Surface Area: 110 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 343.4±5.0 cm3

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