7alpha,27-dihydroxy-4-cholesten-3-one

Catalog NumberBL-M001340
CAS Number192187-67-0
Description7alpha,27-dihydroxy-4-cholesten-3-one is a metabolite of cholesterol known for its promising antineoplastic properties. Serving as a robust inhibitor of cholesterol biosynthesis, this compound exhibits potential in combatting cholesterol-related ailments and specific forms of malignancy.
IUPAC Name(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Synonyms7α,27-dihydroxy-4-cholesten-3-one
Molecular Weight416.64
Molecular FormulaC27H44O3
Boiling Point554.5±33.0 °C at 760 mmHg
Purity>99%
Density1.1±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 77.83%, H 10.64%, O 11.52%
Canonical SMILESCC(CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C)CO
InChIInChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI KeyKVJVJJWIEXCECB-GWUAJDSISA-N

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