SpectraBase Compound ID | IINE1sbNrY6 |
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InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19?,20?,21?,22?,24+,25-,26-,27-/m1/s1 |
InChIKey | CZDKQKOAHAICSF-FKKFVDSISA-N |
Mol Weight | 402.7 g/mol |
Molecular Formula | C27H46O2 |
Exact Mass | 402.349781 g/mol |
SpectraBase Spectrum ID | CTXu6HH9bzl |
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Name | 4β-Hydroxycholesterol |
Source of Sample | Cayman Chemical Company |
Catalog Number | 19518 |
Lot Number | 0483102-1 |
CAS Registry Number | 17320-10-4 |
Cell Type | Capillary tube |
Compound Type | Pure |
Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H46O2 |
IUPAC Name | Cholest-5-ene-3β,4β-diol |
InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19?,20?,21?,22?,24+,25-,26-,27-/m1/s1 |
InChIKey | CZDKQKOAHAICSF-FKKFVDSISA-N |
Molecular Weight | 402.663 g/mol |
Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
Raman Laser Power | 648 mW |
Raman Laser Source | Nd:YAG |
SMILES | O[C@]1([C@](CC[C@@]2(C3CC[C@]4(C(C3C\C=C\12)CCC4[C@@](CCCC(C)C)(C)[H])C)C)(O)[H])[H] |
Scans Performed | 6912 |
Source of Spectrum | Forensic Spectral Research |
Synonyms | 5-Cholesten-3β,4β-diol |
Technique | FT-Raman |