Senecivernine

Catalog Number	ACM72755250
CAS Number	72755-25-0
Synonyms	12-Hydroxy-14ξ-methyl-(12ξH,13ξH)-21-nor-senecionane-11,16-dione
Molecular Weight	335.4
InChI	InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+/m0/s1
InChI Key	FLUOSFVUPTUYEX-QHOAOGIMSA-N
Purity	95%+
Complexity	613
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	335.1732729
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1=C)(C)O)C
Monoisotopic Mass	335.1732729
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is another name for Senecivernine?

Another name for Senecivernine is Senecivernin.

What is the chemical formula of Senecivernine?

The chemical formula of Senecivernine is C18H25NO5.

What is the molecular weight of Senecivernine?

The molecular weight of Senecivernine is 335.39 g/mol.

What is the melting point of Senecivernine?

The melting point of Senecivernine is 105-107 °C.

Where does Senecivernine occur naturally?

Senecivernine occurs naturally in the aerial parts of Senecio vernalis.

What type of plant is Senecio vernalis?

Senecio vernalis is a flowering plant native to Iran and the Mediterranean.

How is Senecivernine used in plants?

Senecivernine is considered a plant defense compound in Senecio vernalis.

What is the pKa value of Senecivernine?

The pKa value of Senecivernine is 12.81±0.60.

What is the boiling point of Senecivernine?

The predicted boiling point of Senecivernine is 553.4±50.0 °C.

In what form does Senecivernine crystallize when obtained from ethanol?

Senecivernine crystallizes into colorless needles when obtained from ethanol.

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