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5,7-Cholestadien-3β-ol monohydrate
SpectraBase Compound ID 5hkWWh9Ipol
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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 88z8BM9CD4O
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