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Ergosta-7,22-dien-3b-ol
SpectraBase Compound ID IUXKCIh9bmC
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/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey QOXPZVASXWSKKU-SWNLHRSYSA-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 HGJpSGzsReD
Name Ergosta-7,22-dien-3beta-ol
Alternate Name(s) (3S,9R,10S,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey QOXPZVASXWSKKU-SWNLHRSYSA-N
Literature Reference DOI 10.1002/jccs.199100013
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2(C)C(C1)CC=C1[C@]3([H])CC[C@]([H])([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[C@@]3(C)CC[C@]21[H])[H]
SPLASH splash10-0601-3094000000-00d0f512091b96fbe2f8
Source of Spectrum QA-38-73-4
Wiley ID 1795015