CAS 57-87-4 Ergosterol (Provitamin D2) - Analytical Products / Alfa Chemistry

CAT	APS57874B
CAS	57-87-4
Structure
Synonyms	(3beta,22E)-Ergosta-5,7,22-trien-3-ol, (22E,24R)-Ergosta-5,7,22-trien-3beta-ol, 24R-Methylcholesta-5,7,22E-trien-3beta-ol, Ergosta-5,7,22-trien-3-ol, (3beta,22E)-, Provitamin D2, (24R)-Ergosta-5,7,22-trien-3beta-ol, 3beta-Hydroxyergosta-5,7,22-triene, Ergosterin, Provitamin D, 24-Methylcholesta-5,7,22-trien-3beta-ol, 24alpha-Methyl-22E-dehydrocholesterol,Ergosterol (8CI)
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
Molecular Weight	396.65
Molecular Formula	C28H44O
Canonical SMILES	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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

Accurate Mass	396.3392
Format	Neat
Shipping	Room Temperature
Storage Conditions	+4°C
Subcategory	Nutritional composition compounds