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Ergosta-5,7,22,24-tetraen-3.beta.-ol
SpectraBase Compound ID 4lsMRiTXlD9
InChI InChI=1S/C28H42O/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/h7-10,20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t20-,22+,24-,25+,26+,27+,28-/m1/s1
InChIKey QEGBPPIOJZXLKN-CVGLIYDESA-N
Mol Weight 394.6 g/mol
Molecular Formula C28H42O
Exact Mass 394.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wVkJQMIRpd
Name Ergosta-5,7,22,24-tetraen-3.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O
InChI InChI=1S/C28H42O/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/h7-10,20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t20-,22+,24-,25+,26+,27+,28-/m1/s1
InChIKey QEGBPPIOJZXLKN-CVGLIYDESA-N
Molecular Weight 394.643 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)=CC=C1[C@@]3(CC[C@]([C@@](\C=C\C(C)=C(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])C)[H]
SPLASH splash10-03di-0069000000-81b92a437c1d62a006b8
Source of Spectrum X4-22-185-0
Synonyms (3beta,22E)-ergosta-5,7,22,24-tetraen-3-ol (3S,9S,10R,13R,14R,17R)-17-[(2R,3E)-5,6-dimethylhepta-3,5-dien-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1585930