Stigmasterol

Catalog NumberBL-M000555
CAS Number83-48-7
DescriptionStigmasterol is an unsaturated plant sterol, which may be useful in prevention of certain cancers.
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SynonymsStigmasterin; Stigmasta-5,22-dien-3beta-ol; (24S)-5,22-Stigmastadien-3beta-ol
Molecular Weight412.69
Molecular FormulaC29H48O
Boiling Point501.1°C at 760 mmHg
Melting Point165-167°C (lit.)
Purity>98%
Density1.0 g/cm3
SolubilitySoluble in CHCl3 (50 mg/ml), and chloroform. Insoluble in water.
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 84.40%, H 11.72%, O 3.88%
Canonical SMILESCCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI KeyHCXVJBMSMIARIN-PHZDYDNGSA-N

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