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5.alpha.-Cholest-7,9(11),14-trien-3.beta.-yl acetate
SpectraBase Compound ID CNElDRNgtDV
InChI InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,13,15,19-20,22-23,25H,7-10,12,14,16-18H2,1-6H3/t20-,22+,23+,25-,28+,29-/m1/s1
InChIKey BUIXNYVJKXAODL-VTNHEUTJSA-N
Mol Weight 424.7 g/mol
Molecular Formula C29H44O2
Exact Mass 424.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJpZVOkT3JZ
Name 5.alpha.-Cholest-7,9(11),14-trien-3.beta.-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O2
InChI InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,13,15,19-20,22-23,25H,7-10,12,14,16-18H2,1-6H3/t20-,22+,23+,25-,28+,29-/m1/s1
InChIKey BUIXNYVJKXAODL-VTNHEUTJSA-N
Molecular Weight 424.669 g/mol
SMILES C(C)(=O)O[C@]1(CC[C@]2([C@](C1)(CC=C1C3=CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC=C21)[H])[H])C)[H]
SPLASH splash10-03di-0039000000-2052b3297d1894335740
Source of Spectrum K-2001-1895-8
Synonyms (3beta,5alpha)-cholesta-7,9(11),14-trien-3-yl acetate
Wiley ID 1579493