ChemSpider 2D Image | 18-Norpicrasan-1-one, 2,12-bis(acetyloxy)-11-((1,3-benzodioxol-5-ylcarbonyl)oxy)-13-hydroxy-16-methoxy-, (2alpha,11alpha,12beta,16beta)- | C32H40O12

18-Norpicrasan-1-one, 2,12-bis(acetyloxy)-11-((1,3-benzodioxol-5-ylcarbonyl)oxy)-13-hydroxy-16-methoxy-, (2α,11α,12β,16β)-

  • Molecular FormulaC32H40O12
  • Average mass616.653 Da
  • Monoisotopic mass616.251953 Da
  • ChemSpider ID170464

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2R,3S,3aR,5S,6aR,7aR,10S,11aS,11bS,11cR)-2,10-Diacetoxy-3-hydroxy-5-methoxy-3,11a,11c-trimethyl-11-oxohexadecahydrodibenzo[de,g]chromen-1-yl 1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
(1S,2R,3S,3aR,5S,6aR,7aR,10S,11aS,11bS,11cR)-2,10-Diacetoxy-3-hydroxy-5-methoxy-3,11a,11c-trimethyl-11-oxohexadecahydrodibenzo[de,g]chromen-1-yl-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylate de (1S,2R,3S,3aR,5S,6aR,7aR,10S,11aS,11bS,11cR)-2,10-diacétoxy-3-hydroxy-5-méthoxy-3,11a,11c-triméthyl-11-oxohexadécahydrodibenzo[de,g]chromén-1-yle [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylic acid, (1S,2R,3S,3aR,5S,6aR,7aR,10S,11aS,11bS,11cR)-2,10-bis(acetyloxy)hexadecahydro-3-hydroxy-5-methoxy-3,11a,11c-trimethyl-11-oxophenanthro[10,1-bc]pyran-1-yl ester [ACD/Index Name]
18-Norpicrasan-1-one, 2,12-bis(acetyloxy)-11-((1,3-benzodioxol-5-ylcarbonyl)oxy)-13-hydroxy-16-methoxy-, (2α,11α,12β,16β)-
126167-89-3 [RN]
javanicin D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 222.9±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 151.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.16
ACD/KOC (pH 5.5): 722.10
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.16
ACD/KOC (pH 7.4): 722.10
Polar Surface Area: 153 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 450.6±5.0 cm3

Click to predict properties on the Chemicalize site


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