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3-Oxa-cholest-5-ene

View entire compound with spectra: 1 MS (GC)

3-Oxa-cholest-5-ene
SpectraBase Compound ID 9UIUeg6l5Yj
InChI InChI=1S/C26H44O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27-16-15-25(20,4)24(21)13-14-26(22,23)5/h9,18-19,21-24H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey WKEKBWFKOANPTP-NFSSVYEPSA-N
Mol Weight 372.6 g/mol
Molecular Formula C26H44O
Exact Mass 372.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53FwMtBzZuX
Name 3-Oxa-cholest-5-ene
Alternate Name(s) (4aR,4bS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O
InChI InChI=1S/C26H44O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27-16-15-25(20,4)24(21)13-14-26(22,23)5/h9,18-19,21-24H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey WKEKBWFKOANPTP-NFSSVYEPSA-N
Molecular Weight 372.637 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCOC4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0229-0907000000-a1ea686ad47bd6e7677c
Source of Spectrum KC-1980-246-0
Wiley ID 1355905