ChemSpider 2D Image | 7-Chloro-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bH-1-azacyclohepta[mno]aceanthrylen-8b-ol | C26H29ClN2O

7-Chloro-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bH-1-azacyclohepta[mno]aceanthrylen-8b-ol

  • Molecular FormulaC26H29ClN2O
  • Average mass420.974 Da
  • Monoisotopic mass420.196838 Da
  • ChemSpider ID24620572

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

7-Chlor-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bH-1-azacyclohepta[mno]aceanthrylen-8b-ol [German] [ACD/IUPAC Name]
7-Chloro-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bH-1-azacyclohepta[mno]aceanthrylen-8b-ol [ACD/IUPAC Name]
7-Chloro-8a-isocyano-5,5,8,11,11-pentaméthyl-8-vinyl-1,5,5a,6,7,8,8a,11-octahydro-8bH-1-azacyclohepta[mno]acéanthrylén-8b-ol [French] [ACD/IUPAC Name]
8bH-1-Azacyclohept[mno]aceanthrylen-8b-ol, 7-chloro-8-ethenyl-1,5,5a,6,7,8,8a,11-octahydro-8a-isocyano-5,5,8,11,11-pentamethyl- [ACD/Index Name]
ambiguine K isonitrile

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

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