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4E-3-(8-Hydroxyoctyl)-3-hydroxy-4-(pent-2-ynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-5-one
SpectraBase Compound ID IZKKZ1uiyET
InChI InChI=1S/C23H32O3/c1-2-3-8-11-19-22(25)20-17-12-13-18(16-17)21(20)23(19,26)14-9-6-4-5-7-10-15-24/h11-13,17-18,20-21,24,26H,2,4-7,9-10,14-16H2,1H3/b19-11-/t17-,18+,20-,21-,23-/m0/s1
InChIKey XLGGFCHEDQTCCV-LMUBNWRMSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTfnCFN9Ivz
Name 4E-3-(8-Hydroxyoctyl)-3-hydroxy-4-(pent-2-ynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-2-3-8-11-19-22(25)20-17-12-13-18(16-17)21(20)23(19,26)14-9-6-4-5-7-10-15-24/h11-13,17-18,20-21,24,26H,2,4-7,9-10,14-16H2,1H3/b19-11-/t17-,18+,20-,21-,23-/m0/s1
InChIKey XLGGFCHEDQTCCV-LMUBNWRMSA-N
Molecular Weight 356.506 g/mol
SMILES O[C@@]1(CCCCCCCCO)\C(C([C@]2([C@]3(C=C[C@]([C@]12[H])([H])C3)[H])[H])=O)=C/C#CCC
SPLASH splash10-0229-0390000000-4b7b59107d409ec140b8
Source of Spectrum F-54-12569-22
Synonyms (2R,3R,6S,7R,10S)-4E-3-(8-Hydroxyoctyl)-3-hydroxy-4-(pent-2-ynylidene)tricyclo[5.2.1.0(2,6)]dec-8-en-5-one
Wiley ID 809362