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ChemSpider 2D Image | Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate | C33H40N2O9

Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate

  • Molecular FormulaC33H40N2O9
  • Average mass608.679 Da
  • Monoisotopic mass608.273376 Da
  • ChemSpider ID263083

More details:

Date of deprecation: 18:12, Oct 2, 2015
Reason for deprecation: Deprecate record: 6 undefined stereocentres

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

10,17-Diméthoxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester [ACD/Index Name]
(-)-10-Methoxydeserpidine
10-MD
10-Methoxy-11-desmethoxyreserpine
10-Methoxydeserpidine
3β, 20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-10, 17α-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester)
3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-10,17α-dimethoxy-, methyl ester, 3,4, 5-trimethoxybenzoate (ester)
More...

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

NSC 169423 [DBID]
NSC169423 [DBID]
R 694 [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: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 16.40
ACD/KOC (pH 5.5): 82.85
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 523.63
ACD/KOC (pH 7.4): 2644.83
Polar Surface Area: 118 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 458.2±5.0 cm3

Click to predict properties on the Chemicalize site


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