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Cholesterol-[4-13C]

General Information
Catalog: BLP-011074
CAS: 99964-70-2
Molecular Formula: C26[13C]H46O
Molecular Weight: 387.65
Chemical Structure
Cholesterol-[4-13C]
Description Cholesterol-[4-13C], is the labelled analogue of Cholesterol. Cholesterol is the principal sterol of the higher animals. Cholesterol was found in all body tissues, especially in the brain, spinal cord, and in animal fats or oils. Cholesterol is the main constituent of gallstones.
Synonyms Cholesterol-4-13C
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[C@@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
InChI Key HVYWMOMLDIMFJA-CHMPPTJKSA-N
Boiling Point 360°C (lit.)
Melting Point 147-149°C (lit.)
Purity 99% atom 13C
Density 1.070 g/cm3 at 25°C
Storage Store at -20°C

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