Ergosterol

About This Item

Molecular Formula	C₂₈H₄₄O
CAS Number	57-87-4

FC-0625843

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Properties

Chemical Identifiers

IUPAC Name	(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI Key	DNVPQKQSNYMLRS-APGDWVJJSA-N
InChI	InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1

Physical Properties

Boiling Point	250 °C at 0.01 mm Hg
Melting Point	MP: 168 °C. Complete removal from water is almost impossible and results in an amorphous mass, melting range 166-183 °C. ... Precipitated by digitonin. Affected by light and air, turns yellow. Oxygen forms peroxides and hydrogen may form polyhydro compounds.
Flash Point	216.3±19.3 °C
Density	1.04

Safety Information

Hazard Class

Danger

Flash Point

216.3±19.3 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.