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5-.beta.-Cholesta-6,8(14)-diene
SpectraBase Compound ID 4pXEAEwVp64
InChI InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12-13,19-21,23,25H,6-11,14-18H2,1-5H3/t20-,21+,23-,25+,26+,27-/m1/s1
InChIKey XWDCVZSMGJFSEI-FVGLWHFYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C27H44
Exact Mass 368.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83FASPRGTsh
Name 5-.beta.-Cholesta-6,8(14)-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44
InChI InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12-13,19-21,23,25H,6-11,14-18H2,1-5H3/t20-,21+,23-,25+,26+,27-/m1/s1
InChIKey XWDCVZSMGJFSEI-FVGLWHFYSA-N
Molecular Weight 368.649 g/mol
SMILES C12=C3[C@]([C@@]4(C)CCCC[C@]4(C=C3)[H])([H])CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC1)[H])C
SPLASH splash10-0pb9-0093000000-bd1e091fb19d4fa9ee57
Source of Spectrum H-79-997-13
Synonyms (5beta)-cholesta-6,8(14)-diene
Wiley ID 1353474