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22(S)-hydroxycholesterol-[d7]

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Category	Cholesterol
Catalog NO.	BPG-3279
Product Name	22(S)-hydroxycholesterol-[d7]
CAS	1246302-91-9
Molecular Formula	C27H39D7O2
Molecular Weight	409.70

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Synonyms	cholest-5-ene-3beta,22(S)-diol-d7; 22S-hydroxycholesterol(d7); 25,26,26,26,27,27,27-heptadeuterocholest-5-ene-3beta,22S-diol
IUPAC Name	(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3S)-6,7,7,7-tetradeuterio-3-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
InChI	InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1/i1D3,2D3,17D
InChIKey	RZPAXNJLEKLXNO-YLVVCUGSSA-N
Boiling Point	513.1±23.0 °C at 760 mmHg
Purity	99% by CP; 99% atom D
Density	1.0±0.1 g/cm3
Related CAS	22348-64-7 (unlabelled)
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	409.394
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 79.15%, H 13.04%, O 7.81%

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