Deprecated ChemSpider Record

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ChemSpider 2D Image | Methyl 12-methoxy-13-[(19Z)-17-methoxy-17-oxo-2,7-dihydrovobasan-3-yl]ibogamine-18-carboxylate | C43H54N4O5

Methyl 12-methoxy-13-[(19Z)-17-methoxy-17-oxo-2,7-dihydrovobasan-3-yl]ibogamine-18-carboxylate

  • Molecular FormulaC43H54N4O5
  • Average mass706.913 Da
  • Monoisotopic mass706.409424 Da
  • ChemSpider ID24751853
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:





Date of deprecation: 13:03, May 6, 2014
Reason for deprecation: Deprecate record: Mis-deposition of structure of vocamine (but with two extra hydrogens)

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

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

Density: 1.3±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 201.3±0.0 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 6.39
ACD/KOC (pH 5.5): 9.18
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 6421.96
ACD/KOC (pH 7.4): 9232.97
Polar Surface Area: 96 Å2
Polarizability: 79.8±0.0 10-24cm3
Surface Tension: 61.8±0.0 dyne/cm
Molar Volume: 547.8±0.0 cm3

Click to predict properties on the Chemicalize site






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