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(8S,20S)-des-A,B-8-benzoyloxy-20-formylpregnane
SpectraBase Compound ID EywUVIhPqiQ
InChI InChI=1S/C20H26O3/c1-14(13-21)16-10-11-17-18(9-6-12-20(16,17)2)23-19(22)15-7-4-3-5-8-15/h3-5,7-8,13-14,16-18H,6,9-12H2,1-2H3/t14-,16-,17+,18+,20-/m1/s1
InChIKey DCXYXPCMRLYABB-RDGCENLJSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOgJlScr8jI
Name (8S,20S)-des-A,B-8-benzoyloxy-20-formylpregnane
Appearance Oil
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Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-14(13-21)16-10-11-17-18(9-6-12-20(16,17)2)23-19(22)15-7-4-3-5-8-15/h3-5,7-8,13-14,16-18H,6,9-12H2,1-2H3/t14-,16-,17+,18+,20-/m1/s1
InChIKey DCXYXPCMRLYABB-RDGCENLJSA-N
Instrument Name Kratos DS-50 TC
Ionization Type EI
Molecular Weight 314.425 g/mol
SMILES C1C[C@@]([C@@]2(CC[C@]([C@](C)(C=O)[H])([C@@]2(C)C1)[H])[H])(OC(c1ccccc1)=O)[H]
SPLASH splash10-0a59-2900000000-46720b66cdce972c957c
Source of Spectrum US7947666B2
Wiley ID 1861870