Cholesteryl 11(Z)-Vaccenate
| Catalog Number | BL-M001429 |
| Structure |  |
| 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] (Z)-octadec-11-enoate |
| Synonyms | Cholesteryl cis-11-Octadecenoate; 5-Cholesten-3-β-ol 3-vaccenate; cis-Vaccenic acid cholesteryl ester; CE(18:1(11Z)) |
| Molecular Weight | 651.12 |
| Molecular Formula | C45H78O2 |
| Purity | > 99% |
| Canonical SMILES | CCCCCC/C=C\CCCCCCCCCC(=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/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
| InChI Key | BNQAKMBVXYXXED-FZDLOJSVSA-N |
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