7-Ketocholesterol

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Catalog Number ACM566289-1
Product Name 7-Ketocholesterol
CAS Number 566-28-9
Structure 7-Ketocholesterol
IUPAC Name (3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Molecular Weight 400.6
Molecular Formula C27H44O2
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C
Inchi InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey YIKKMWSQVKJCOP-ABXCMAEBSA-N
Purity 98%
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