Product Name
Cholesteryl caprylate
Category
Heterocyclic Organic Compound
Synonyms
3β-hydroxy-5-cholestene 3-octanoate
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] octanoate
Molecular Formula
C35H60O2
Canonical SMILES
CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](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
InChI Key
SKLBBRQPVZDTNM-SJTWHRLHSA-N
Melting Point
110 ºC (lit.)
Compound Derivative
Caprylate
Covalently-Bonded Unit Count
1
Exact Mass
512.459331g/mol
Monoisotopic Mass
512.459331g/mol
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