Ergosterol

Catalog	BBC57874
CAS	57-87-4
Structure
Synonyms	5,7,22-Ergostatrien-3β-ol
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	396.66
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
InChI Key	DNVPQKQSNYMLRS-APGDWVJJSA-N
Boiling Point	250 °C/1.3 mmHg
Melting Point	156-158 °C(lit.)
Purity	98%
Density	0.9784 g/cm³
Solubility	Practically insoluble in water
Appearance	Solid
Storage	-20 °C
Active Content	95%
pKa	14.91±0.70(Predicted)