Ligularine

Catalog Number	ACM34429544
CAS Number	34429-54-4
Structure
Synonyms	(12ξ,13ξ)-12,14-Diacetoxy-8-hydroxy-4-methyl-11,16-dioxosenecionan-4-ium
Molecular Weight	466.5
InChI	InChI=1S/C23H32NO9/c1-7-17-19(31-14(3)25)13(2)22(5,33-15(4)26)21(28)30-12-16-8-10-24(6)11-9-18(23(16,24)29)32-20(17)27/h7-8,13,18-19,29H,9-12H2,1-6H3/q+1/b17-7-
InChI Key	UJFFAMMZKASLBJ-IDUWFGFVSA-N
Purity	95%+
Complexity	940
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	466.2077066
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C\1/C(C(C(C(=O)OCC2=CC[N+]3(C2(C(CC3)OC1=O)O)C)(C)OC(=O)C)C)OC(=O)C
Monoisotopic Mass	466.2077066
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	125 Ų

Custom Q&A

What is the chemical name of Ligularine?

(12ξ,13ξ)-12,14-Diacetoxy-8-hydroxy-4-methyl-11,16-dioxosenecionan-4-ium

What are some synonyms for Ligularine?

Ligularine; (12ξ,13ξ)-12,14-Diacetoxy-8-hydroxy-4-methyl-11,16-dioxosenecionan-4-ium

What is the CAS number for Ligularine?

34429-54-4

What is the molecular formula of Ligularine?

C23H32NO9+

What is the molecular weight of Ligularine?

466.51

What type of alkaloid is Ligularine?

Hepatotoxic alkaloid

In which plants can Ligularine be found?

Ligularia brachyphylla Hand-Mass., L. dentata Hara, and L. elegans Casso

What is the specific rotation of Ligularine?

[α]24D - 34° (c 0.S2, CHCI3)

Has Ligularine been obtained in crystalline form?

No, it has not yet been obtained in a crystalline form.

What is a reference source for information about Ligularine?

Klasek, Sedmera, Santavy., Collect. Czech. Chem. Commun., 36,2205 (I 971)

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