Seneciphyllinine

Catalog Number	ACM90341450-1
CAS Number	90341-45-0
Synonyms	Acetylseneciphylline
Molecular Weight	375.4
InChI	InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1
InChI Key	CTCKXBIRQMSUIU-BYVYPXNKSA-N
Complexity	752
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	375.16818752
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C
Monoisotopic Mass	375.16818752
PhysicalState	Oil
Rotatable Bond Count	2
Topological Polar Surface Area	82.1 Ų

Custom Q&A

What is the chemical formula of seneciphyllinine?

The chemical formula of seneciphyllinine is C20H25NO6.

What is the molecular weight of seneciphyllinine?

The molecular weight of seneciphyllinine is 375.42.

What is the boiling point of seneciphyllinine?

The predicted boiling point of seneciphyllinine is 585.3±50.0 °C.

What is the density of seneciphyllinine?

The predicted density of seneciphyllinine is 1.25±0.1 g/cm3.

What is the pka value of seneciphyllinine?

The predicted pka value of seneciphyllinine is 5.79±0.40.

What are some synonyms of seneciphyllinine?

Some synonyms of seneciphyllinine are acetylseneciphylline, senecionan-11,16-dione, and seneciphylline acetate.

What is the role of acetylseneciphylline as stated in the reference?

Acetylseneciphylline is a pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group. It has a role as a Jacobaea metabolite.

What is the functional relationship of seneciphyllinine?

Seneciphyllinine is functionally related to a seneciphylline.

What are the chemical properties of seneciphyllinine?

The chemical properties of seneciphyllinine include boiling point, density, and pka value.

What is the CAS number of seneciphyllinine?

The CAS number of seneciphyllinine is 90341-45-0.

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