Description
Ergosterol is a sterol and a biological precursor (a provitamin) to vitamin D2.
Synonyms
Ergosterol; Provitamin D2; Ergosta-5,7,22E-trien-3beta-ol; 5,7,22-Ergostatrien-3beta-ol; 3beta-Hydroxy-5,7,22-ergostatriene
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 Formula
C28H44O
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
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
InChIKey
DNVPQKQSNYMLRS-APGDWVJJSA-N
Boiling Point
250°C at 0.01 mmHg
Solubility
Slightly soluble in ethanol, ethyl ether, petroleum ether; soluble in benzene, chloroform