16R-sitsirikine

Catalog Number	ACM1245007
CAS Number	1245-00-7
Synonyms	(16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester
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/h3-7,13,16-17,19,22,24H,1,8-12H2,2H3/t13-,16-,17-,19-/m0/s1
InChI Key	JGKCGXVOATXMRM-UHEFJODHSA-N
Melting Point	239-241 °C
Purity	95%+
Complexity	539
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	354.1943427
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	COC(=O)[C@@H](CO)[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3
Monoisotopic Mass	354.1943427
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	65.6 Ų

Custom Q&A

What is the chemical name of the compound with the CAS number 1245-00-7?

The chemical name of the compound is (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester.

What are some synonyms for (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

Some synonyms include Sitsirikine, (16R)-18,19-Didehydro-17-hydroxy-17,18-secoyohimban-16-carboxylic acid methyl ester, and Sitsirikin.

What is the molecular formula of (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

The molecular formula is C21H26N2O3.

What is the molecular weight of (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

The molecular weight is 354.45.

What is the melting point of (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

The melting point is 239-241℃ (Decomposition).

What is the predicted boiling point of (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

The predicted boiling point is 545.4±50.0 °C.

What is the density of (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

The density is 1.25±0.1 g/cm3 (Predicted).

How is (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester used and synthesized?

It is one of the numerous alkaloids isolated from Vinca species, occurs in V. rosea L., and forms colorless crystals from MeOH.

What are some chemical properties of (16R)-18,19-Didehydro-17-hydroxycorynan-16-carboxylic acid methyl ester?

Some chemical properties include a primary alcoholic group and an imino group, as well as the ability to yield the hemisulphate, picrate, and O-acetate.

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