Acetylseneciphylline N-oxide

Catalog Number	ACM123844008
CAS Number	123844-00-8
Synonyms	O-Acetylseneciphylline N-oxide
Molecular Weight	391.4
InChI	InChI=1S/C20H25NO7/c1-5-14-10-12(2)20(4,28-13(3)22)19(24)26-11-15-6-8-21(25)9-7-16(17(15)21)27-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-,21/m1/s1
InChI Key	VUEKZTPMPCTKDK-NZQWTBGOSA-N
Purity	90%+
Complexity	798
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	391.16310214
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)OC(=O)C
Monoisotopic Mass	391.16310214
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	97 Ų

Custom Q&A

What is the chemical formula of Acetylseneciphylline N-oxide?

The chemical formula of Acetylseneciphylline N-oxide is C20H25NO7.

What is the molecular weight of Acetylseneciphylline N-oxide?

The molecular weight of Acetylseneciphylline N-oxide is 391.42.

What are some chemical properties of Acetylseneciphylline N-oxide?

Acetylseneciphylline N-oxide has a predicted pka of 4.60±0.40.

What role does Acetylseneciphylline N-oxide play according to its chemical properties?

Acetylseneciphylline N-oxide has a role as a Jacobaea metabolite.

How is Acetylseneciphylline N-oxide structurally classified?

Acetylseneciphylline N-oxide is classified as an acetate ester, macrocyclic lactone, olefinic compound, organic heterotricyclic compound, pyrrolizine alkaloid, and tertiary amine oxide.

How does Acetylseneciphylline N-oxide differ from seneciphylline?

Acetylseneciphylline N-oxide is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group, and the tertiary amino function has been oxidized to the corresponding N-oxide.

What is the CAS number of Acetylseneciphylline N-oxide?

The CAS number of Acetylseneciphylline N-oxide is 123844-00-8.

What is the ChEBI definition of Acetylseneciphylline N-oxide?

According to ChEBI, Acetylseneciphylline N-oxide is a pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group, and the tertiary amino function has been oxidized to the corresponding N-oxide.

What are some functional relationships of Acetylseneciphylline N-oxide?

Acetylseneciphylline N-oxide is functionally related to seneciphylline.

What are some other synonyms for Acetylseneciphylline N-oxide?

Other synonyms for Acetylseneciphylline N-oxide include O-Acetylseneciphylline N-oxide and [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 6-(acetyloxy)-3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-methyl-5-methylene-, 12-oxide, (3Z,6R,14aR,14bR)-.

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