ChemSpider 2D Image | [(3S,4aR,6aS,12R,12aS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-6a,12b-dimethyl-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-4-yl]methyl propionate | C32H39NO10

[(3S,4aR,6aS,12R,12aS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-6a,12b-dimethyl-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-4-yl]methyl propionate

  • Molecular FormulaC32H39NO10
  • Average mass597.653 Da
  • Monoisotopic mass597.257385 Da
  • ChemSpider ID58816100

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

[(3S,4aR,6aS,12R,12aS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-6a,12b-dimethyl-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-4-yl]methyl propionate [ACD/IUPAC Name]
[(3S,4aR,6aS,12R,12aS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-6a,12b-dimethyl-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-4-yl]methylpropionat [German] [ACD/IUPAC Name]
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-6a,12b-dimethyl-4-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4aR,6 aS,12R,12aS)- [ACD/Index Name]
Propionate de [(3S,4aR,6aS,12R,12aS)-3-acétoxy-4-(acétoxyméthyl)-12-hydroxy-6a,12b-diméthyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H,11H-benzo[f]pyrano[4,3-b]chromén-4-yl]méthyle [French] [ACD/IUPAC Name]
[(5AS,7AR,9S,11AS,11BS,12R)-9-(ACETYLOXY)-8-[(ACETYLOXY)METHYL]-12-HYDROXY-5A,11A-DIMETHYL-1-OXO-3-(PYRIDIN-3-YL)-1,5A,6,7,7A,8,9,10,11,11A,11B,12-DODECAHYDRO-2,5-DIOXATETRAPHEN-8-YL]METHYL PROPANOATE
[(5AS,7AR,9S,11AS,11BS,12R)-9-(ACETYLOXY)-8-[(ACETYLOXY)METHYL]-12-HYDROXY-5A,11A-DIMETHYL-1-OXO-3-(PYRIDIN-3-YL)-6,7,7A,9,10,11,11B,12-OCTAHYDRO-2,5-DIOXATETRAPHEN-8-YL]METHYL PROPANOATE
151519-45-8 [RN]
Pyripyropene C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 401.85
ACD/KOC (pH 5.5): 2358.32
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 522.95
ACD/KOC (pH 7.4): 3069.02
Polar Surface Area: 148 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 451.2±5.0 cm3

Click to predict properties on the Chemicalize site


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