ChemSpider 2D Image | 7b-hydroxy-7H-mitraciliatine | C23H30N2O5

7b-hydroxy-7H-mitraciliatine

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID32033854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3β,7β,16E)-7-Hydroxy-9,17-diméthoxy-1,2-didéhydro-2,7-dihydrocoryn-16-én-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
7b-hydroxy-7H-mitraciliatine
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,7a,12b-octahydro-7a-hydroxy-8-methoxy-α-(methoxymethylene)-, methyl ester, (αE,2S,3R,7aR,12bR)- [ACD/Index Name]
Methyl (3β,7β,16E)-7-hydroxy-9,17-dimethoxy-1,2-didehydro-2,7-dihydrocoryn-16-en-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,7β,16E)-7-hydroxy-9,17-dimethoxy-1,2-didehydro-2,7-dihydrocoryn-16-en-16-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 59.37
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.88
ACD/KOC (pH 7.4): 321.70
Polar Surface Area: 81 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 320.0±7.0 cm3

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