ChemSpider 2D Image | aszonalenin | C23H23N3O2

aszonalenin

  • Molecular FormulaC23H23N3O2
  • Average mass373.448 Da
  • Monoisotopic mass373.179016 Da
  • ChemSpider ID28286412

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6aR,7aS,12aR)-7a-(2-Methyl-3-buten-2-yl)-7,7a,12,12a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-6,14(5H,6aH)-dion [German] [ACD/IUPAC Name]
(6aR,7aS,12aR)-7a-(2-Methyl-3-buten-2-yl)-7,7a,12,12a-tetrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-6,14(5H,6aH)-dione [ACD/IUPAC Name]
(6aR,7aS,12aR)-7a-(2-Méthyl-3-butén-2-yl)-7,7a,12,12a-tétrahydroindolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazépine-6,14(5H,6aH)-dione [French] [ACD/IUPAC Name]
81797-27-5 [RN]
aszonalenin
Indolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-6,14(5H,6aH)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7,7a,12,12a-tetrahydro-, (6aR,7aS,12aR)- [ACD/Index Name]
(5aR,13aR,14aS)-14a-(1,1-dimethyl-2-propenyl)-5a,13a,14,14a-tetrahydro-indolo[3',2':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7,13(5H,12H)-dione
ASZONALENINE

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

0V5DQ674AU [DBID]
UNII:0V5DQ674AU [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 378.70
ACD/KOC (pH 5.5): 2437.14
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.52
ACD/KOC (pH 7.4): 2442.39
Polar Surface Area: 61 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

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