SpectraBase Compound ID | E6qf2oAIjSE |
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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-/m1/s1 |
InChIKey | YIKKMWSQVKJCOP-ABXCMAEBSA-N |
Mol Weight | 400.6 g/mol |
Molecular Formula | C27H44O2 |
Exact Mass | 400.334131 g/mol |
SpectraBase Spectrum ID | HzGT8lUKvRU |
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Name | 5-Cholesten-3beta-ol-7-one |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 284122 |
CAS Registry Number | 566-28-9 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H44O2 |
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-/m1/s1 |
InChIKey | YIKKMWSQVKJCOP-ABXCMAEBSA-N |
Observed nucleus | 1H |
Purity | 95% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 3beta-Hydroxy-5-cholesten-7-one 7-Ketocholesterol |
Wiley ID | SIAL_1HNMR_005272 |