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(3R,6R,7S,1(10)E,4Z)-3-methoxymethoxy-13-nor-1(10),4-germacradieno-12,6-lactone
SpectraBase Compound ID 5ned3y6X4je
InChI InChI=1S/C16H24O4/c1-11-4-6-13-9-16(17)20-15(13)8-12(2)14(7-5-11)19-10-18-3/h5,8,13-15H,4,6-7,9-10H2,1-3H3/b11-5+,12-8-/t13-,14+,15-/m0/s1
InChIKey YHFOWCQGRSDCJH-RZAWMGLYSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vg0IbipqgA
Name (3R,6R,7S,1(10)E,4Z)-3-methoxymethoxy-13-nor-1(10),4-germacradieno-12,6-lactone
Alternate Name(s) (3R,6S,7S,1(10)E,4Z)-3-methoxymethoxy-13-nor-1(10),4-germacradieno-12,6-lactone (3aS,9R,11aR)-9-(methoxymethoxy)-6,10-dimethyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
CAS Registry Number 81780-72-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-11-4-6-13-9-16(17)20-15(13)8-12(2)14(7-5-11)19-10-18-3/h5,8,13-15H,4,6-7,9-10H2,1-3H3/b11-5+,12-8-/t13-,14+,15-/m0/s1
InChIKey YHFOWCQGRSDCJH-RZAWMGLYSA-N
Molecular Weight 280.364 g/mol
SMILES [C@@]12(\C=C/([C@@](C\C=C\(CC[C@]1(CC(O2)=O)[H])C)(OCOC)[H])C)[H]
SPLASH splash10-001i-9010000000-61c68bca86f9be004020
Source of Spectrum AJ-58-150-4
Wiley ID 1283990