Chemical Properties of RESCINNAMINE

InChI

InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+

InChI Key

SZLZWPPUNLXJEA-JXMROGBWSA-N

Formula

C35H42N2O9

SMILES

COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1OC

Molecular Weight¹

634.73

Other Names

• 3,4,5-Trimethoxycinnamic acid, methyl reserpate
• 3,4,5-Trimethoxycinnamoyl methyl reserpate
• 3,4,5-Trimethylcinnamic acid, ester with methyl reserpate
• 3,4,5-Trimethylcinnamoyl methyl reserpate
• 3-«beta»,20-«alpha»-Yohimban-16-«beta»-carboxylic acid, 18-«beta»-hydroxy-11,17-«alpha»-dimethoxy-,methyl ester, 3,4,5-trimethoxycinnamate
• 3«beta»,20«alpha»-Yohimban-16«beta»-carboxylic acid, 18«beta»-hydroxy-11,17«alpha»-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate (ester)
• Anapral
• Anaprel
• Apolon
• Apoterin
• Apoterin S
• Benz(g)indolo(2,3-a)quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxycinnamate
• Cartric
• Cinamine
• Cinatabs
• Cinnaloid
• Cinnasil
• Methyl 18-O-(3,4,5-trimethoxycinnamoyl)reserpate
• Methyl 18«beta»-hydroxy-11,17«alpha»-dimethoxy-3«beta»,20«alpha»-yohimban-16«beta»-carboxylate
• Methyl reserpate 3,4,5-trimethoxycinnamic acid ester
• Methyl trimethoxycinnamoylreserpate
• Moderil
• Normorescina
• Paresinan
• Raupyrol
• Raurescin
• Raurescine
• Recinnamine
• Recitensina
• Rescaloid
• Rescamin
• Rescidan
• Rescin
• Rescinamine
• Rescinnamin
• Rescinpal
• Rescisan
• Rescitens
• Resealoid
• Reserpic acid methyl ester 3,4,5-trimethoxycinnamate
• Reserpinene
• Reserpinin
• Reserpinine
• Reserpinine (C35 alkaloid)
• Resipal
• Reskinnamin
• Rozex
• Scinnamina
• Tenamine
• Trimethoxycinnamoyl methyl reserpate
• Tuareg
• Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]-, methyl ester, (3«beta»,16«beta»,17«alpha»,18«beta»,20«alpha»)-
• Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]oxy]-, methyl ester, (3«beta»,16«beta»,17«alpha»,18«beta»,20«alpha»)

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to RESCINNAMINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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