ChemSpider 2D Image | pyripyropene A | C31H37NO10

pyripyropene A

  • Molecular FormulaC31H37NO10
  • Average mass583.626 Da
  • Monoisotopic mass583.241760 Da
  • ChemSpider ID10002673

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(Acetoxymethyl)-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-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(Acetoxymethyl)-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-3,6-diyl diacetate [ACD/IUPAC Name]
(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(Acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diyl diacetate
147444-03-9 [RN]
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3,6-bis(acetyloxy)-4-[(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]
2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3,6-bis(acetyloxy)-4-[(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)-
Diacétate de (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acétoxyméthyl)-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-3,6-diyle [French] [ACD/IUPAC Name]
pyripyropene A
(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(Acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,2,3,4,4a,5,6,6a,11,12,12a,12b-dodecahydrobenzo[f]pyrano[4,3-b]chromene-3,6-diyl diacetate
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one,3,6-bis(acetyloxy)-4-[(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,1
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  • Miscellaneous

    • Chemical Class:

      A sesquiterpenoid that consists of (3<stereo>S</stereo>,4<stereo>R</stereo>,4a<stereo>R</stereo>,6<stereo>S</stereo>,6a<stereo>S</stereo>,12<stereo>R</stereo>,12a<stereo>S</stereo>,12b<stereo>S</stere o>)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2<element>H</element>,11<element>H</element>-benzo[<ital>f</ital>]pyrano[4,3-<ital>b</i tal>]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups. ChEBI CHEBI:64695
      A sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4 ,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups. ChEBI CHEBI:64695

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 185.54
ACD/KOC (pH 5.5): 1356.30
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 241.44
ACD/KOC (pH 7.4): 1765.00
Polar Surface Area: 148 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 435.8±5.0 cm3

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