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Ergosta-8,22-dien-3-ol, (3.beta.,5.alpha.,22E,24S)-
SpectraBase Compound ID 2vZsbBRcjwl
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,18-22,24-25,29H,9-17H2,1-6H3/b8-7+/t19-,20-,21+,22+,24-,25+,27+,28-/m1/s1
InChIKey NBGSQCOKVDHDGJ-UZEVOFCWSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99AawJKZ7gT
Name Ergosta-8,22-dien-3-ol, (3.beta.,5.alpha.,22E,24S)-
Alternate Name(s) (22E,24S)-24-methyl-5.alpha.-cholesta-8,22-dien-3.beta.-ol (22E,24S)-24-methyl-5a-cholesta-8,22-dien-3b-ol (3beta,5alpha,22E,24S)-ergosta-8,22-dien-3-ol (3S,5S,10S,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 85798-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,18-22,24-25,29H,9-17H2,1-6H3/b8-7+/t19-,20-,21+,22+,24-,25+,27+,28-/m1/s1
InChIKey NBGSQCOKVDHDGJ-UZEVOFCWSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2(C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])[H])[H])CC[C@]2(C1)[H])C)[H]
SPLASH splash10-006t-0089000000-c601102db99e2520e30d
Source of Spectrum KC-1983-152-0
Wiley ID 1368763