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Cholesterol-[3,4-13C2]

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General Information
Catalog: BLP-009196
CAS: 78887-48-6
Molecular Formula: C25[13C]2H46O
Molecular Weight: 388.64

Chemical Structure

Description	A labelled Cholesterol. Cholesterol is the principal sterol of the higher animals. Cholesterol was found in all body tissues, especial in the brain, spinal cord, and in animal fats or oils. Cholesterol is the main constituent of gallstones.
Synonyms	5-Cholesten-3-β-ol-3,4-13C2; 3β-Hydroxy-5-cholestene-3,4-13C2
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CAS	57-88-5 (unlabelled)
Isomeric SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[13C@@H]([13CH2]4)O)C)C
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i17+1,21+1
InChI Key	HVYWMOMLDIMFJA-WKKCFSIESA-N
Melting Point	147-149°C (lit.)
Purity	99% atom 13C
Density	1.072