Erucifoline

Catalog Number	ACM40158950
CAS Number	40158-95-0
Structure
Synonyms	(12ξ,13ξ)-12,13-Epoxy-19-hydroxysenecionan-11,16-dione
Molecular Weight	349.4
InChI	InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18/m1/s1
InChI Key	NOQVBHHOUTTZGE-AJDQYRSESA-N
Purity	95%+
Complexity	685
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	349.15253745
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C\1/CC2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO
Monoisotopic Mass	349.15253745
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	88.6 Ų

Custom Q&A

What is the chemical name of erucifoline?

The chemical name of erucifoline is (12ξ,13ξ)-12,13-Epoxy-19-hydroxysenecionan-11,16-dione.

What are some synonyms of erucifoline?

Some synonyms of erucifoline are Erucifoline, (Z)-Erucifolin, and Oxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-7,11-dione.

What is the CAS number of erucifoline?

The CAS number of erucifoline is 40158-95-0.

What is the molecular formula of erucifoline?

The molecular formula of erucifoline is C18H23NO6.

What is the molecular weight of erucifoline?

The molecular weight of erucifoline is 349.38.

What is the boiling point of erucifoline?

The boiling point of erucifoline is predicted to be 591.8±50.0 °C.

What is the density of erucifoline?

The density of erucifoline is predicted to be 1.37±0.1 g/cm3.

What is the pKa value of erucifoline?

The pKa value of erucifoline is predicted to be 14.58±0.10.

What is the usage of erucifoline?

Erucifoline is a pyrrolizidine alkaloid found in food and feeds.

What are some predicted chemical properties of erucifoline?

Some predicted chemical properties of erucifoline include boiling point, density, and pKa value.

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