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(22E,24S)-24-Methylcholesta-4,22-diene-3,6-dione
SpectraBase Compound ID CdpLsTCLddA
InChI InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15,17-19,21-24H,9-14,16H2,1-6H3/b8-7+/t18-,19-,21+,22-,23+,24+,27-,28-/m1/s1
InChIKey LKDRSTSIYBRIGG-ZKYNSSEYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C28H42O2
Exact Mass 410.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61djRkRBtgp
Name (22E,24S)-24-Methylcholesta-4,22-diene-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O2
InChI InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15,17-19,21-24H,9-14,16H2,1-6H3/b8-7+/t18-,19-,21+,22-,23+,24+,27-,28-/m1/s1
InChIKey LKDRSTSIYBRIGG-ZKYNSSEYSA-N
Molecular Weight 410.642 g/mol
SMILES C1(CC[C@]2(C(=C1)C(C[C@]1([C@@]3(CC[C@]([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)=O
SPLASH splash10-000i-0961100000-619ff787a234b446c339
Source of Spectrum X2-53-1265-4
Synonyms (22E,24S)-ergosta-4,22-diene-3,6-dione
Wiley ID 1603705