ChemSpider 2D Image | [(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-6-Acetoxy-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,4-diyl]bis(methylene) diace tate | C32H39NO10

[(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-6-Acetoxy-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,4-diyl]bis(methylene) diace tate

  • Molecular FormulaC32H39NO10
  • Average mass597.653 Da
  • Monoisotopic mass597.257385 Da
  • ChemSpider ID167098

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-6-Acetoxy-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-3,4-diyl]dimethylen-diacetat [German] [ACD/IUPAC Name]
[(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-6-Acetoxy-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,4-diyl]bis(methylene) diace tate [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 6-(acetyloxy)-3,4-bis[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS ,12bS)- [ACD/Index Name]
Diacétate de [(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-6-acétoxy-12-hydroxy-4,6a,12b-triméthyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H,11H-benzo[f]pyrano[4,3-b]chromène-3,4-diyl]diméthy lène [French] [ACD/IUPAC Name]
[(1S,2S,5S,6R,7R,9S,10S,18R)-9-Acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate
151519-46-9 [RN]
Pyripyropene D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.2±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 334.31
ACD/KOC (pH 5.5): 2067.30
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.06
ACD/KOC (pH 7.4): 2690.26
Polar Surface Area: 148 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

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