ChemSpider 2D Image | strychnogucine A | C42H42N4O3

strychnogucine A

  • Molecular FormulaC42H42N4O3
  • Average mass650.808 Da
  • Monoisotopic mass650.325684 Da
  • ChemSpider ID8547518
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(11α)-11-[(1R,13S,14E,17R,19S,21S)-14-Ethyliden-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,11-tetraen-17-yl]strychnidin-10-on [German] [ACD/IUPAC Name]
(11α)-11-[(1R,13S,14E,17R,19S,21S)-14-Ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosa-2,4,6,11-tetraen-17-yl]strychnidin-10-one [ACD/IUPAC Name]
(11α)-11-[(1R,13S,14E,17R,19S,21S)-14-Éthylidène-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicosa-2,4,6,11-tétraén-17-yl]strychnidin-10-one [French] [ACD/IUPAC Name]
Strychnidin-10-one, 11-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-2,3,10,11b,13,13a-hexahydro-9-oxo-12H-1,12-ethano-9H-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-2-yl]-, (11α)- [ACD/Index Name]
strychnogucine A
(11α)-11-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-9-oxo-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-2-yl]strychnidin-10-one
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66528
  • Miscellaneous

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.780
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 24.97
ACD/KOC (pH 7.4): 165.49
Polar Surface Area: 56 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 79.7±5.0 dyne/cm
Molar Volume: 439.0±5.0 cm3

Click to predict properties on the Chemicalize site






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