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5.alpha.,3.beta.-(3'-Hydroxypropyl)cholestane
SpectraBase Compound ID Irz9GUyDGNl
InChI InChI=1S/C30H54O/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-24-20-23(10-7-19-31)15-17-29(24,4)28(25)16-18-30(26,27)5/h21-28,31H,6-20H2,1-5H3/t22?,23-,24?,25?,26+,27?,28?,29-,30+/m0/s1
InChIKey UFATVLWNYUPZEF-YLHNFAFHSA-N
Mol Weight 430.8 g/mol
Molecular Formula C30H54O
Exact Mass 430.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94d8ocrKG1q
Name 5.alpha.,3.beta.-(3'-Hydroxypropyl)cholestane
Alternate Name(s) 3-[(3beta)-cholestan-3-yl]-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O
InChI InChI=1S/C30H54O/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-24-20-23(10-7-19-31)15-17-29(24,4)28(25)16-18-30(26,27)5/h21-28,31H,6-20H2,1-5H3/t22?,23-,24?,25?,26+,27?,28?,29-,30+/m0/s1
InChIKey UFATVLWNYUPZEF-YLHNFAFHSA-N
Molecular Weight 430.761 g/mol
SMILES OCCC[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CCC2C1)CC[C@@]4(C(CCCC(C)C)C)[H])C)C)[H]
SPLASH splash10-056r-0090100000-ec524a2167f735783282
Source of Spectrum E1-37-3047-14
Wiley ID 1575342