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5-Hydroxycholestan-3-yl acetate
SpectraBase Compound ID 6VIu3FZ81Gu
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1
InChIKey XGBHFLNWQIPOQW-GEKZLSDOSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cZMkNJJxx2
Name 3.BETA.-ACETOXY-5.BETA.-CHOLESTAN-5-OL
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Exact Mass 446.375995467 u
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1
InChIKey XGBHFLNWQIPOQW-GEKZLSDOSA-N
Molecular Weight 446.716 g/mol
Nominal Mass 446 u
Number of Peaks 64
SMILES O[C@@]12C[C@](CC[C@@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(OC(=O)C)[H]
SPLASH splash10-001i-6209000000-02fbd4745b2c2c88eeb8
Source File Reference LMCM-14077-793D
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 5-HYDROXYCHOLESTAN-3-YL ACETATE (3S,5S,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Wiley ID 4_160