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(1R,2S,4R,5S,6S,7S)-5-(8-Hydroxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
SpectraBase Compound ID JbQFKUi0Cai
InChI InChI=1S/C23H34O2/c1-2-3-8-12-20-19(11-9-6-4-5-7-10-15-24)21-17-13-14-18(16-17)22(21)23(20)25/h13-14,17-22,24H,2,4-7,9-12,15-16H2,1H3/t17-,18+,19-,20-,21+,22+/m1/s1
InChIKey GRIMBYHZJYGQHX-HJEMKOJISA-N
Mol Weight 342.5 g/mol
Molecular Formula C23H34O2
Exact Mass 342.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIqisi05VmR
Name (1R,2S,4R,5S,6S,7S)-5-(8-Hydroxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O2
InChI InChI=1S/C23H34O2/c1-2-3-8-12-20-19(11-9-6-4-5-7-10-15-24)21-17-13-14-18(16-17)22(21)23(20)25/h13-14,17-22,24H,2,4-7,9-12,15-16H2,1H3/t17-,18+,19-,20-,21+,22+/m1/s1
InChIKey GRIMBYHZJYGQHX-HJEMKOJISA-N
Molecular Weight 342.523 g/mol
SMILES OCCCCCCCC[C@]1([C@]2([C@@](C([C@@]1(CC#CCC)[H])=O)([C@]1(C=C[C@@]2(C1)[H])[H])[H])[H])[H]
SPLASH splash10-00or-6390000000-18bd93ddd7ed5aa413f8
Source of Spectrum F-51-176-6
Synonyms (1R,2S,4R,5S,6S,7S)-5-(8-hydroxyoctyl)-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-en-3-one (2R,3S,3aS,4S,7R,7aS)-3-(8-Hydroxy-octyl)-2-pent-2-ynyl-2,3,3a,4,7,7a-hexahydro-4,7-methano-inden-1-one trans-5-(8-Hydroxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
Wiley ID 790455