Alstonine

Catalog Number	ACM642182
CAS Number	642-18-2
Synonyms	Indole alkaloid
Molecular Weight	348.4
InChI	InChI=1S/C21H20N2O3/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/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1
InChI Key	WYTGDNHDOZPMIW-RCBQFDQVSA-N
Purity	95%+
Complexity	606
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	348.1473925
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@H]1[C@@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC
Monoisotopic Mass	348.1473925
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	53.4 Ų

Custom Q&A

What is the chemical formula of TETRAHYDROALSTONINE?

The chemical formula of TETRAHYDROALSTONINE is C21H24N2O3.

What is the molecular weight of TETRAHYDROALSTONINE?

The molecular weight of TETRAHYDROALSTONINE is 352.43 g/mol.

At what temperature does TETRAHYDROALSTONINE melt?

TETRAHYDROALSTONINE melts at 227°C.

In which solvents is TETRAHYDROALSTONINE soluble?

TETRAHYDROALSTONINE is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the predicted boiling point of TETRAHYDROALSTONINE?

The predicted boiling point of TETRAHYDROALSTONINE is 524.0±50.0 °C.

What is the storage temperature recommended for TETRAHYDROALSTONINE?

The recommended storage temperature for TETRAHYDROALSTONINE is 4°C, and it should be protected from light.

What is the role of TETRAHYDROALSTONINE as per ChEBI?

TETRAHYDROALSTONINE is a metabolite found in several plant species and it has a role as a plant metabolite.

What type of compound is TETRAHYDROALSTONINE classified as?

TETRAHYDROALSTONINE is a yohimban alkaloid, an organic heteropentacyclic compound, and a methyl ester.

What is the pKa value of TETRAHYDROALSTONINE predicted to be?

The predicted pKa value of TETRAHYDROALSTONINE is 18.03±0.60.

What is the logP value of TETRAHYDROALSTONINE estimated to be?

The estimated logP value of TETRAHYDROALSTONINE is 2.880.

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