Asperumine

Catalog Number	ACM78513209
CAS Number	78513-20-9
Synonyms	2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-1H-pyrrolizin-1-yl ester, [1S-[1α(E),7(E),7aα]]- (9CI)
Molecular Weight	319.4
InChI	InChI=1S/C18H25NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h5-7,15-16H,8-11H2,1-4H3/b12-5+,13-6+/t15-,16+/m0/s1
InChI Key	HMXNAWUWVBSLJC-ALOUTBNOSA-N
Purity	95%+
Complexity	574
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	319.17835828
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C(\C)/C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C
Monoisotopic Mass	319.17835828
PhysicalState	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	55.8 Ų

Custom Q&A

What is the product name of the compound with the CAS number 78513-20-9?

The product name is Asperumine.

What are some synonyms for Asperumine?

Some synonyms for Asperumine are 2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-1H-pyrrolizin-1-yl ester and [1S-[1α(E),7(E),7aα]]-.

What is the molecular formula of Asperumine?

The molecular formula of Asperumine is C18H25NO4.

What is the molecular weight of Asperumine?

The molecular weight of Asperumine is 319.4.

How is Asperumine obtained from Echium vulgare?

Asperumine is obtained from the aerial portions of Echium vulgare as a colourless oil by elution with CHCl3 on a silica gel column.

What is the chemical structure of Asperumine?

The chemical structure of Asperumine is represented by the molecular formula C18H25NO4.

How is Asperumine typically isolated from the plant source?

Asperumine is typically isolated from the aerial portions of Echium vulgare by elution with CHCl3 on a silica gel column.

What is the physical state of Asperumine?

Asperumine is obtained as a colourless oil.

What is the name of the compound that Asperumine is esterified with?

Asperumine is esterified with 2-methyl-1-oxo-2-butenyl.

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