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COMPRESSANOLIDE
SpectraBase Compound ID FVWAqKP7aT5
InChI InChI=1S/C15H22O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h9-13,17H,1,4-7H2,2-3H3/t9-,10-,11-,12-,13-,15+/m0/s1
InChIKey JFSCVRCZWCVAOQ-XTXFXJEVSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwBw9a7Bj5R
Name (-)-4.alpha.-Hydroxy-1,5,7.alpha.H,6,11.beta.H-guai-10(14)-en-6,12-olide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h9-13,17H,1,4-7H2,2-3H3/t9-,10-,11-,12-,13-,15+/m0/s1
InChIKey JFSCVRCZWCVAOQ-XTXFXJEVSA-N
Instrument Name Fisons VG Autospec, GC 8000 series
Ionization Type EI
Literature Reference DOI 10.1021/np020109f
Molecular Weight 250.338 g/mol
Optical Rotation [a]D22 = -3.6 (c = 0.61)
SMILES O[C@]1([C@]2([C@](C(CC[C@@]3([C@@]2(OC([C@]3(C)[H])=O)[H])[H])=C)(CC1)[H])[H])C
SPLASH splash10-0006-9510000000-dbdee88094c24995fd81
Source of Spectrum G4-65-1705-6
Synonyms (-)-Compressanolide
Wiley ID 1883453