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24-BETA-METHYL-5.BETA.-CHOLEST-22-ENE-3.ALPHA.-OL
SpectraBase Compound ID Fe2sOxHBHMu
InChI InChI=1S/C28H48O/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/h7-8,18-26,29H,9-17H2,1-6H3/b8-7-/t19-,20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey PRKPDIRLXGMLSU-UEPPEANOSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U7AD1lf6KN
Name 24-BETA-METHYL-5.BETA.-CHOLEST-22-ENE-3.ALPHA.-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 400.370516165 u
Formula C28H48O
InChI InChI=1S/C28H48O/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/h7-8,18-26,29H,9-17H2,1-6H3/b8-7-/t19-,20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey PRKPDIRLXGMLSU-UEPPEANOSA-N
Molecular Weight 400.691 g/mol
Nominal Mass 400 u
Number of Peaks 120
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])([C@@](\C=C/[C@](C(C)C)(C)[H])(C)[H])[H])C)[H])C)[H]
SPLASH splash10-0pvi-9441100000-a64522f6f50579e76812
Source File Reference LMCM-41502-570R
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ERGOST-22-EN-3-OL (3R,5R,8R,9S,10S,13R,14S,17R)-17-((2R,5S,Z)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 4_497