Uncarine A

Catalog Number	ACM6899736
CAS Number	6899-73-6
Molecular Weight	368.4
InChI	InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21+/m1/s1
InChI Key	JMIAZDVHNCCPDM-DQDWJNSRSA-N
Purity	95%+
Complexity	692
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	368.17360725
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Monoisotopic Mass	368.17360725
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	67.9 Ų

Custom Q&A

What is the chemical formula of uncarine A?

The chemical formula of uncarine A is C21H24N2O4.

What is the molecular weight of uncarine A?

The molecular weight of uncarine A is 368.43.

What is the melting point of uncarine A?

The melting point of uncarine A is 120-130°C.

What is the boiling point of uncarine A?

The boiling point of uncarine A is predicted to be 555.2±50.0°C.

What is the density of uncarine A?

The density of uncarine A is predicted to be 1.33±0.1 g/cm3.

What is the pKa value of uncarine A?

The pKa value of uncarine A is predicted to be 13.56±0.60.

From which plant was uncarine A first isolated?

Uncarine A was first isolated from Uncaria kawakamii.

What is the stereochemistry of uncarine A?

The stereochemistry of uncarine A has been revised comparatively recently.

What is the specific optical rotation of uncarine A?

Uncarine A is dextrorotatory having [α]D + 106.5°.

In what form does uncarine A form a hydrochloride hemihydrate?

Uncarine A forms a hydrochloride hemihydrate as colourless needles, with a melting point of 231°C (dec.).

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