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Isolachnellulone
SpectraBase Compound ID 3INAEcwxytf
InChI InChI=1S/C18H28O5/c1-3-5-7-9-14-16(19)17(20)15(18(21)23-14)13-11-10-12(22-13)8-6-4-2/h12,14,16,19H,3-11H2,1-2H3/b15-13+/t12?,14-,16+/m0/s1
InChIKey XUXPQZIAHQAQKO-MQVOGQFXSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GG6GvqtdKHW
Name Isolachnellulone
CAS Registry Number 116837-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-3-5-7-9-14-16(19)17(20)15(18(21)23-14)13-11-10-12(22-13)8-6-4-2/h12,14,16,19H,3-11H2,1-2H3/b15-13+/t12?,14-,16+/m0/s1
InChIKey XUXPQZIAHQAQKO-MQVOGQFXSA-N
Molecular Weight 324.417 g/mol
SMILES O[C@]1(C(\C(C(O[C@]1(CCCCC)[H])=O)=C\1OC(CCCC)CC1)=O)[H]
SPLASH splash10-00di-0390000000-6f86ea45cde9640a80da
Source of Spectrum I-66-511-0
Synonyms (3E,5R,6S)-3-(5-butyldihydro-2(3H)-furanylidene)-5-hydroxy-6-pentyldihydro-2H-pyran-2,4(3H)-dione
Wiley ID 1323218