| SpectraBase Spectrum ID |
7NmXuJl5EoG |
| Name |
5.alpha.-Hydroxy-6-ketocholesterol |
| CAS Registry Number |
13027-33-3 |
| 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 |
418.344695338 u |
| Formula |
C27H46O3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18?,19-,20-,21+,22-,23-,25+,26+,27-/m0/s1 |
| InChIKey |
SJZZRXMQSAXCFD-ZIUJSLSYSA-N |
| Molecular Weight |
418.662 g/mol |
| Nominal Mass |
418 u |
| Number of Peaks |
380 |
| SMILES |
O[C@@]12C[C@@](O)(CC[C@@]2([C@@]2([C@]([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CC2)C)[H])(CC1=O)[H])[H])C)[H] |
| SPLASH |
splash10-05mo-8955100000-1d00187bcca2d64d82b4 |
| Source |
Cayman Chemicals |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Cholestane-6-oxo-5.beta.,3.alpha.-diol |
| Wiley ID |
VI001795 |
