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(6R)-6-[(1S,2S)-2-[(1R,2E,4S,6Z)-1-methoxy-4-oxidanyl-dodeca-2,6-dienyl]cyclopropyl]oxan-2-one
SpectraBase Compound ID JXBpJAKLXtW
InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-10-16(22)13-14-19(24-2)17-15-18(17)20-11-9-12-21(23)25-20/h7-8,13-14,16-20,22H,3-6,9-12,15H2,1-2H3/b8-7-,14-13+/t16-,17-,18-,19+,20+/m0/s1
InChIKey XEXGECCITGJVFI-CBHFQKDASA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VfGg5cvGAo
Name (6R)-6-[(1S,2S)-2-[(1R,2E,4S,6Z)-1-methoxy-4-oxidanyl-dodeca-2,6-dienyl]cyclopropyl]oxan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-10-16(22)13-14-19(24-2)17-15-18(17)20-11-9-12-21(23)25-20/h7-8,13-14,16-20,22H,3-6,9-12,15H2,1-2H3/b8-7-,14-13+/t16-,17-,18-,19+,20+/m0/s1
InChIKey XEXGECCITGJVFI-CBHFQKDASA-N
Molecular Weight 350.499 g/mol
SMILES O[C@](\C=C\[C@]([C@@]1([C@](C1)([C@@]1(OC(=O)CCC1)[H])[H])[H])(OC)[H])(C\C=C/CCCCC)[H]
SPLASH splash10-0bt9-1950000000-e2e8e7ecdfa1232e3e4b
Source of Spectrum J-59-7235-23
Synonyms (6R)-6-[(1S,2S)-2-[(1R,2E,4S,6Z)-4-hydroxy-1-methoxy-dodeca-2,6-dienyl]cyclopropyl]tetrahydropyran-2-one (6R)-6-[(1S,2S)-2-[(1R,2E,4S,6Z)-4-hydroxy-1-methoxydodeca-2,6-dienyl]cyclopropyl]-2-oxanone (6R)-6-[(1S,2S)-2-[(1R,2E,4S,6Z)-4-hydroxy-1-methoxydodeca-2,6-dienyl]cyclopropyl]oxan-2-one
Wiley ID 1342168