ChemSpider 2D Image | (4aS,6aR,7S,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyl-3,8,10-trioxotetradecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-7-yl acetate | C28H32O10

(4aS,6aR,7S,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyl-3,8,10-trioxotetradecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-7-yl acetate

  • Molecular FormulaC28H32O10
  • Average mass528.548 Da
  • Monoisotopic mass528.199524 Da
  • ChemSpider ID58802415

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4aS,6aR,7S,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyl-3,8,10-trioxotetradecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-7-yl acetate [ACD/IUPAC Name]
(4aS,6aR,7S,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyl-3,8,10-trioxotetradecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-7-yl-acetat [German] [ACD/IUPAC Name]
1H,3H-Oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione, 7-(acetyloxy)-12-(3-furanyl)decahydro-6,6,8a,12a-tetramethyl-, (4aS,6aR,7S,8aR,8bR,9aS,12S,12aS,14aR,14bR )- [ACD/Index Name]
Acétate de (4aS,6aR,7S,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tétraméthyl-3,8,10-trioxotétradécahydro-3H-oxiréno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromén-7-yle [French] [ACD/IUPAC Name]
115458-73-6 [RN]
Glaucin B
MFCD20274883

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 702.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.8±3.0 kJ/mol
    Flash Point: 378.5±32.9 °C
    Index of Refraction: 1.596
    Molar Refractivity: 127.2±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 2.00
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 13.00
    ACD/KOC (pH 5.5): 218.26
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 13.00
    ACD/KOC (pH 7.4): 218.26
    Polar Surface Area: 131 Å2
    Polarizability: 50.4±0.5 10-24cm3
    Surface Tension: 58.8±5.0 dyne/cm
    Molar Volume: 373.8±5.0 cm3

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