6alpha-hydroxy-5alpha-cholestanol-[d7]

Catalog NumberBL-M000939
CAS Number1246302-83-9
IUPAC Name(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Synonyms6alpha-hydroxy-5alpha-cholestane-d7
Molecular Weight411.71
Molecular FormulaC27H41D7O2
Boiling Point503.4±33.0 °C at 760 mmHg
Purity99% by CP; 99% atom D
Density1.0±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 78.77%, H 13.46%, O 7.77%
Canonical SMILESCC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1/i1D3,2D3,17D
InChI KeyPMWTYEQRXYIMND-DNWVLYPESA-N

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