| Catalog Number |
ACM110888067-1 |
| CAS |
110888-06-7 |
| Synonyms |
Cholesterol-3-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 |
| Molecular Weight |
513.84 |
| Molecular Formula |
C3413CH60O2 |
| 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 |
109 °C (228 °F) |
| Appearance |
White to almost white powder |
| Chemical Purity |
98% |
| Isomeric SMILES |
CCCCCCC[13C](=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 |
| Isotopic Enrichment |
99 atom % 13C |
| Stability |
Stable if stored under recommended conditions. |
| Unlabeled CAS |
1182-42-9 |
| Unlabeled Synonyms |
Cholesteryl caprylate; 3beta-Hydroxy-5-cholestene-3-octanoate |
