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4β-Hydroxycholesterol
SpectraBase Compound ID IINE1sbNrY6
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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CTXu6HH9bzl
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
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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