SpectraBase Compound ID | 5hkWWh9Ipol |
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InChI | InChI=1S/C27H44O.H2O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3;1H2/t19-,21+,23-,24+,25+,26+,27-;/m1./s1 |
InChIKey | AETRVMCHEHCIKY-DUSRAGHXSA-N |
Mol Weight | 402.663 g/mol |
Molecular Formula | C27H46O2 |
Exact Mass | 402.349781 g/mol |
SpectraBase Spectrum ID | 88z8BM9CD4O |
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Name | 5,7-Cholestadien-3β-ol monohydrate |
Source of Sample | Steraloids Inc. |
Catalog Number | C3000-000 |
Lot Number | B0217 |
CAS Registry Number | 434-16-2 |
Classification | cholesteryl type |
Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H46O2 |
InChI | InChI=1S/C27H44O.H2O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3;1H2/t19-,21+,23-,24+,25+,26+,27-;/m1./s1 |
InChIKey | AETRVMCHEHCIKY-DUSRAGHXSA-N |
Melting Point | 148.0 - 150.0 °C |
Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
Raman Laser Source | Nd:YAG |
Sadtler IR Number | DW0989 |
Source of Spectrum | Forensic Spectral Research |
Synonyms | 7-Dehydrocholestrol, monohydrate Cholecalciferol; PROVITAMIN D3 |
Technique | FT-Raman |