Title: Isopyrocalciferol
CAS Registry Number: 474-70-4
CAS Name: (3b,9b,22E)-9-Ergosta-5,7,22-trien-3-ol
Additional Names: 9b-ergosterol
Molecular Formula: C28H44O
Molecular Weight: 396.65
Percent Composition: C 84.78%, H 11.18%, O 4.03%
Literature References: Differs sterically from pyrocalciferol at C-10, from ergosterol at C-9. See ref under Pyrocalciferol. Stereochemistry: Castells et al., J. Chem. Soc. 1959, 1159. Selenium dehydrogenation gives Diel's hydrocarbon (3¢-methyl-1,2-cylopentenophenanthrene).
Properties: Prisms from ether-methanol. mp 112-115°. uv max: 262, 280 nm. [a]D20 +332°, [a]20546 +415° (c = 1.5 in chloroform). Precipitated by digitonin.
Melting point: mp 112-115°
Optical Rotation: [a]D20 +332°; [a]20546 +415° (c = 1.5 in chloroform)
Absorption maximum: uv max: 262, 280 nm
Derivative Type: Acetate
Molecular Formula: C30H46O2
Molecular Weight: 438.69
Percent Composition: C 82.14%, H 10.57%, O 7.29%
Properties: mp 113-115°, [a]D20 +333°, [a]20546 +423° (c = 2 in chloroform).
Melting point: mp 113-115°
Optical Rotation: [a]D20 +333°; [a]20546 +423° (c = 2 in chloroform)
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