| SpectraBase Spectrum ID |
4qwznAzZsGD |
| Name |
7-Ketocholesterol |
| CAS Registry Number |
566-28-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
400.334130655 u |
| Formula |
C27H44O2 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21+,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey |
YIKKMWSQVKJCOP-GILBNLLESA-N |
| Molecular Weight |
400.647 g/mol |
| Nominal Mass |
400 u |
| Number of Peaks |
445 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(C(CCCC(C)C)C)[H])(CC3)C)[H])(C(=O)C2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-0f76-4921100000-bef3fab1302177ed1003 |
| Source |
Cayman Chemicals |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
7-Oxocholesterol |
| Wiley ID |
VI001797 |
