16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester

Catalog Number	ACM25532450-1
CAS Number	25532-45-0
Structure
Synonyms	Mayumbine
Molecular Weight	352.4
InChI	InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1
InChI Key	GRTOGORTSDXSFK-XIEZEKGWSA-N
Purity	95%+
Complexity	606
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	352.17869263
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45
Monoisotopic Mass	352.17869263
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	54.6 Ų

Custom Q&A

What is the chemical formula of 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester?

MF: C21H24N2O3

What is the molecular weight of 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester?

MW: 352.43

At what temperature does 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester melt?

Melting point: 216 °C

What is the predicted boiling point of 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester?

Boiling point: 524.0±50.0 °C

In what solvents is 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester soluble?

Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What form does 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester come in?

Powder form

What is the predicted pKa of 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester?

pKa: 18.03±0.60

Why was the configuration of this alkaloid revised based on further spectroscopic evidence?

The configuration of this alkaloid has now been revised based on further spectroscopic evidence.

What is another name for 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester?

Mayumbine

What is the target of 16,17-Didehydro-19β-methyl-18-oxayohimban-16-carboxylic acid methyl ester?

GABA Receptor

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