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Euliolide-15-spiro-3'-pyrazoline
SpectraBase Compound ID FpmOJC4W6Bh
InChI InChI=1S/C22H36N2O5/c1-14-7-5-9-15(2)18(25)19-16(22(20(26)28-4)11-12-23-24-22)13-17(29-19)21(3,27)10-6-8-14/h8,15-19,25,27H,5-7,9-13H2,1-4H3/b14-8+/t15-,16-,17+,18+,19-,21-,22-/m1/s1
InChIKey FKDPUCHIQWGBOO-LOAXDODDSA-N
Mol Weight 408.5 g/mol
Molecular Formula C22H36N2O5
Exact Mass 408.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBP04EK5ssC
Name Euliolide-15-spiro-3'-pyrazoline
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36N2O5
InChI InChI=1S/C22H36N2O5/c1-14-7-5-9-15(2)18(25)19-16(22(20(26)28-4)11-12-23-24-22)13-17(29-19)21(3,27)10-6-8-14/h8,15-19,25,27H,5-7,9-13H2,1-4H3/b14-8+/t15-,16-,17+,18+,19-,21-,22-/m1/s1
InChIKey FKDPUCHIQWGBOO-LOAXDODDSA-N
Molecular Weight 408.539 g/mol
SMILES O[C@]1([C@@]2(C[C@]([C@]([C@]([C@@](CCC\C(=C\CC1)C)(C)[H])(O)[H])(O2)[H])([C@@]1(N=NCC1)C(=O)OC)[H])[H])C
SPLASH splash10-001r-9000000000-5d35b8e0a5ec22d387f8
Source of Spectrum J-66-656-25
Synonyms (5R)-5-[(1S,2R,5E,10R,11S,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]-3,4-dihydropyrazole-5-carboxylic acid methyl ester methyl (5R)-5-[(1S,2R,5E,10R,11S,12R,13S)-2,11-dihydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]-3,4-dihydropyrazole-5-carboxylate methyl (5R)-5-[(1S,2R,5E,10R,11S,12R,13S)-2,6,10-trimethyl-2,11-bis(oxidanyl)-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]-3,4-dihydropyrazole-5-carboxylate
Wiley ID 1534318