Isositsirikine

Catalog Number	ACM6519273
CAS Number	6519-27-3
Synonyms	16-Epi-isositsirikine
Molecular Weight	354.4
InChI	InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1
InChI Key	RGXKJLTVROJBKZ-LZNZQLKFSA-N
Melting Point	263.5 °C
Purity	95%+
Complexity	564
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	354.1943427
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1[C@H](CO)C(=O)OC)NC4=CC=CC=C34
Monoisotopic Mass	354.1943427
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	65.6 Ų

Custom Q&A

What is the chemical name of the compound 16-epi-isositsirikine?

The chemical name of the compound is (16R,19E)-19,20-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester.

What is the CAS number for 16-epi-isositsirikine?

The CAS number is 6519-27-3.

What is the molecular formula of 16-epi-isositsirikine?

The molecular formula is C21H26N2O3.

What is the molecular weight of 16-epi-isositsirikine?

The molecular weight is 354.45 g/mol.

What is the melting point of 16-epi-isositsirikine?

The melting point is 263.5°C.

What is the predicted boiling point of 16-epi-isositsirikine?

The predicted boiling point is 558.9±50.0 °C.

How is 16-epi-isositsirikine used in synthesis?

It is an amorphous alkaloid found in Vinca rosea L. and has a role as a metabolite.

What is the optical rotation of 16-epi-isositsirikine in CHCl3?

The optical rotation is [α]25D - 20° in CHCl3.

How does the ultraviolet spectrum of 16-epi-isositsirikine in EtOH look like?

In EtOH, the ultraviolet spectrum has absorption maxima at 224, 283, and 291 nm.

What is the reference for information about 16-epi-isositsirikine?

The reference is Kutney, Brown., Tetrahedron, 22,321 (1966).

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