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5-epi CP 55,940

View entire compound with spectra: 1 MS (GC)

5-epi CP 55,940
SpectraBase Compound ID HaZ0HI7Ocqi
InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20+,22-/m1/s1
InChIKey YNZFFALZMRAPHQ-KAGYGMCKSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D74izzjXBvf
Name 5-epi CP 55,940
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20+,22-/m1/s1
InChIKey YNZFFALZMRAPHQ-KAGYGMCKSA-N
Molecular Weight 376.581 g/mol
SMILES Oc1cc(ccc1[C@]1([C@](CCCO)(CC[C@@](C1)(O)[H])[H])[H])C(CCCCCC)(C)C
SPLASH splash10-00dm-3941000000-33547e629a83b184b64f
Source of Spectrum SWG-33-2587-0
Synonyms rel-2-((1R,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol 2-((1R,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol
Wiley ID 1809725