ChemSpider 2D Image | Rescinnamine | C35H42N2O9

Rescinnamine

  • Molecular FormulaC35H42N2O9
  • Average mass634.716 Da
  • Monoisotopic mass634.289001 Da
  • ChemSpider ID4444446
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:



Featured data source



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

(3b,16b,17a,18b,20a)-11,17-Dimethoxy-18-[[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-3,20-yohimban-16-carboxylic Acid Methyl Ester
(3β,16β,17α,18β,20α)-11,17-Diméthoxy-18-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
3,4,5-Trimethoxycinnamic Acid Ester of Methyl Reserpate
Apoterin S
methyl (3β,16β,17α,18β,20α)-11,17-dimethoxy-18-({(2E)-3-[3,4,5-tris(methyloxy)phenyl]prop-2-enoyl}oxy)yohimban-16-carboxylate
Methyl (3β,16β,17α,18β,20α)-11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl (3β,16β,17α,18β,20α)-11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}yohimban-16-carboxylate
Methyl 3,4,5-Trimethoxycinnamoyl Reserpate
Methyl-(3β,16β,17α,18β,20α)-11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}johimban-16-carboxylat [German] [ACD/IUPAC Name]
Rescinamina [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-52763 [DBID]
AIDS001604 [DBID]
AIDS-001604 [DBID]
BRN 0075328 [DBID]
C06540 [DBID]
CCRIS 4711 [DBID]
D00198 [DBID]
HSDB 2176 [DBID]
NSC 15628 [DBID]
NSC15628 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      white to cream powder Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable, but darkens slowly in light. Incompatible withstrong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 1000 mg kg-1, SCU-MUS LD50 440 mg kg-1, ORL-MUS LD50 1420 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      Safety glasses. Oxford University Chemical Safety Data (No longer updated) More details

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 17.83
ACD/KOC (pH 5.5): 87.46
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 575.73
ACD/KOC (pH 7.4): 2823.56
Polar Surface Area: 118 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 483.5±5.0 cm3

Click to predict properties on the Chemicalize site


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