ChemSpider 2D Image | [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

[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 ID28586737

More details:






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

[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]
[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)- [ACD/Index Name]
Propionate de [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]
[(3S,4AR,6AS,12R,12AS,12BS)-3-(ACETYLOXY)-4-[(ACETYLOXY)METHYL]-12-HYDROXY-6A,12B-DIMETHYL-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]CHROMEN-4-YL]METHYL PROPANOATE
182869-17-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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