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Cholesteryl Octanoate-[13C]

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General Information
Catalog: BLP-000141
CAS: 110888-06-7
Molecular Formula: C34[13C]H60O2
Molecular Weight: 513.84

Chemical Structure

Description	Cholesteryl octanoate-[13C], is the labelled analogue of Cholesteryl octanoate, Cholesteryl octanoate is a Cholesterol derivative.
Synonyms	Cholesterol 3-octanoate-13C; Cholesteryl octanoate-13C; Cholesterol-3-octanoate-1-13C; Cholesteryl octanoate-1-13C; Cholesteryl caprylate-1-13C; Cholesterol N-Octanoate-1-13C; n-Octanoic Acid Cholesterol Ester-1-13C; Cholest-5-ene-3-beta-yl octanoate-1-13C
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-yl] (1-13C)octanoate
Related CAS	1182-42-9 (unlabelled)
Canonical SMILES	CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI	InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1/i33+1
InChI Key	SKLBBRQPVZDTNM-SPKDLXGUSA-N
Melting Point	110°C
Purity	≥98%; 99% atom 13C
Appearance	Solid