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ERGOSTEROL-5,8-PEROXIDE
SpectraBase Compound ID GP91yv07rvH
InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKey VXOZCESVZIRHCJ-KGHQQZOUSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzfLGFv4OBp
Name Ergosterol peroxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKey VXOZCESVZIRHCJ-KGHQQZOUSA-N
Literature Reference DOI 10.1002/jccs.201190141
Molecular Weight 428.657 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3(C=C[C@@]4([C@]5([C@@]([C@@]([C@](C)(\C=C\[C@@](C(C)C)(C)[H])[H])(CC5)[H])(CC[C@]24[H])C)[H])OO3)C1)C)[H]
SPLASH splash10-014i-9006200000-4de65372f2041f2d0392
Source of Spectrum QA-58-897-6
Synonyms (3S,5S,8S,9R,10R,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol
Wiley ID 1796587