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3,17-Dimethylcholesta-1,3,5,7,9,11,13-heptaene
SpectraBase Compound ID I9PxQr9NOyn
InChI InChI=1S/C27H34/c1-18(2)7-6-8-20(4)27(5)16-15-25-24-12-10-21-17-19(3)9-11-22(21)23(24)13-14-26(25)27/h9-14,17-18,20H,6-8,15-16H2,1-5H3/t20-,27-/m1/s1
InChIKey OJUUVFJKMJUPIX-NFQMXDRXSA-N
Mol Weight 358.6 g/mol
Molecular Formula C27H34
Exact Mass 358.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7k001pSEyw1
Name 3,17-Dimethylcholesta-1,3,5,7,9,11,13-heptaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34
InChI InChI=1S/C27H34/c1-18(2)7-6-8-20(4)27(5)16-15-25-24-12-10-21-17-19(3)9-11-22(21)23(24)13-14-26(25)27/h9-14,17-18,20H,6-8,15-16H2,1-5H3/t20-,27-/m1/s1
InChIKey OJUUVFJKMJUPIX-NFQMXDRXSA-N
Molecular Weight 358.569 g/mol
SMILES c12c(c3ccc4c(c3cc2)ccc(C)c4)CC[C@@]1([C@@](CCCC(C)C)(C)[H])C
SPLASH splash10-002b-0090000000-bf7b43877a1aaccb66e9
Source of Spectrum AT-31-3939-4
Wiley ID 835797