CAS Registry Number: 639-81-6
CAS Name: 12¢-Hydroxy-2¢-methyl-5¢a-(phenylmethyl)-8a-ergotaman-3¢,6¢,18-trione
Molecular Formula: C33H35N5O5
Molecular Weight: 581.66
Percent Composition: C 68.14%, H 6.07%, N 12.04%, O 13.75%
Literature References: An alkaloid isomeric with ergotamine, q.v. Isoln from ergot: Stoll, Helv. Chim. Acta 28, 1283 (1945); Stoll et al., US 2809920 (1957 to Saul & Co.); Tabor, Vining, Can. J. Microbiol. 3, 55 (1957).
Properties: Crystallizes solvent-free, unlike ergotamine which tends to retain the solvent of crystn. Thin rhombic plates from methanol, dec 241-243°. [a]D20 +369° (c = 0.5 in chloroform). Much less sol than ergotamine; sol in about 1000 parts boiling alcohol, 1500 parts boiling methanol; fairly sol in chloroform, pyridine, glacial acetic acid. Does not seem to form salts.
Optical Rotation: [a]D20 +369° (c = 0.5 in chloroform)