| SpectraBase Compound ID | JprJKSVUpEg |
|---|---|
| InChI | InChI=1S/C29H47BrO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22?,23?,24-,25?,26?,28+,29-/m1/s1 |
| InChIKey | ZOLSIZBHXGOWHP-NTAYVSAGSA-N |
| Mol Weight | 507.6 g/mol |
| Molecular Formula | C29H47BrO2 |
| Exact Mass | 506.275944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ao6DLvyQ777 |
|---|---|
| Name | Cholesteryl - bromoacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47BrO2 |
| InChI | InChI=1S/C29H47BrO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22?,23?,24-,25?,26?,28+,29-/m1/s1 |
| InChIKey | ZOLSIZBHXGOWHP-NTAYVSAGSA-N |
| Molecular Weight | 507.597 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC(=O)CBr)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-014i-2229000000-8e5892522199b4bb706e |
| Source of Spectrum | X2-58-282-1 |
| Synonyms | Cholest-5-en-3-yl bromoacetate 2-Bromoacetic acid [(10R,13R,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] ester [(10R,13R,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] 2-bromoacetate [(10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate [(10R,13R,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] 2-bromanylethanoate |
| Wiley ID | 1605836 |