Spegatrine

Catalog Number	ACM47326534
CAS Number	47326-53-4
Molecular Weight	325.4
InChI	InChI=1S/C20H24N2O2/c1-3-11-9-22(2)18-8-15-14-6-12(24)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23H,7-10H2,1-2H3/p+1/b11-3-/t13-,16-,18,19+,22/m1/s1
InChI Key	DOTYYDUNWITJSJ-SYMHJQAPSA-O
Purity	95%+
Complexity	564
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	325.191603044
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C=C\1/C[N+]2([C@H]3C[C@H]1[C@H](C2CC4=C3NC5=C4C=C(C=C5)O)CO)C
Monoisotopic Mass	325.191603044
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	56.2 Ų

Custom Q&A

What is the product name of the quaternary alkaloid described in the reference?

The product name is SPEGATRINE.

What are the synonyms for the quaternary alkaloid SPEGATRINE?

There are no other synonyms.

What is the molecular formula of SPEGATRINE?

The molecular formula is C20H25N2O2+.

What is the molecular weight of SPEGATRINE?

The molecular weight is 325.42.

Where is SPEGATRINE found?

It is present in the trunk bark of Aspidosperma spegazzinii.

How was the structure of SPEGATRINE determined?

The structure was determined by methylation of the phenolic hydroxyl group followed by thermal degradation.

What is the confirmation of the structure of SPEGATRINE?

Further confirmation is given by the production of the alkaloid by N(b)-methylation of Sarpagine.

What is the relationship between SPEGATRINE and Lochnerine?

The structure of SPEGATRINE is identical to Lochnerine after thermal degradation.

Who conducted the research?

The research was conducted by Orazi, Corral, and Stoichevich.

In which journal was the research on SPEGATRINE published?

The research was published in the Canadian Journal of Chemistry in 1966.

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