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1'-Iodo-4'-methylhexa-1',5;-dien-3'-yl 3,7 : 9,13-Diepoxy-5-oxo-15-methylheptadec-16-enoate
SpectraBase Compound ID Bqa7rKvfDML
InChI InChI=1S/C25H37IO5/c1-5-17(3)12-20-8-7-9-21(29-20)15-22-13-19(27)14-23(30-22)16-25(28)31-24(10-11-26)18(4)6-2/h5-6,10-11,17-18,20-24H,1-2,7-9,12-16H2,3-4H3/b11-10+/t17-,18-,20+,21-,22+,23-,24-/m1/s1
InChIKey BKECOAJHUVSHDU-ZCHSWMDASA-N
Mol Weight 544.5 g/mol
Molecular Formula C25H37IO5
Exact Mass 544.168569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkU533rb8sQ
Name 1'-Iodo-4'-methylhexa-1',5;-dien-3'-yl 3,7 : 9,13-Diepoxy-5-oxo-15-methylheptadec-16-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37IO5
InChI InChI=1S/C25H37IO5/c1-5-17(3)12-20-8-7-9-21(29-20)15-22-13-19(27)14-23(30-22)16-25(28)31-24(10-11-26)18(4)6-2/h5-6,10-11,17-18,20-24H,1-2,7-9,12-16H2,3-4H3/b11-10+/t17-,18-,20+,21-,22+,23-,24-/m1/s1
InChIKey BKECOAJHUVSHDU-ZCHSWMDASA-N
Molecular Weight 544.470 g/mol
SMILES C(C[C@@]1(O[C@](C[C@@]2(O[C@](C[C@@](C=C)(C)[H])(CCC2)[H])[H])(CC(C1)=O)[H])[H])(O[C@](\C=C\I)([C@@](C=C)(C)[H])[H])=O
SPLASH splash10-0ab9-8439100000-78118101e3c4baf7d7d3
Source of Spectrum F6-47-1735-13
Synonyms {(2R,6R)-6-[(2R,6S)-6-((S)-2-Methyl-but-3-enyl)-tetrahydro-pyran-2-ylmethyl]-4-oxo-tetrahydro-pyran-2-yl}-aceticacid(1S,2R)-1-((E)-2-iodo-vinyl)-2-methyl-but-3-enyl ester 2-[(2R,6R)-6-[[(2R,6S)-6-[(2S)-2-methylbut-3-enyl]-2-oxanyl]methyl]-4-oxo-2-oxanyl]acetic acid [(1E,3S,4R)-1-iodo-4-methylhexa-1,5-dien-3-yl] ester [(1E,3S,4R)-1-iodo-4-methylhexa-1,5-dien-3-yl] 2-[(2R,6R)-6-[[(2R,6S)-6-[(2S)-2-methylbut-3-enyl]oxan-2-yl]methyl]-4-oxooxan-2-yl]acetate [(1S,2R)-1-[(E)-2-iodovinyl]-2-methyl-but-3-enyl] 2-[(2R,6R)-6-[[(2R,6S)-6-[(2S)-2-methylbut-3-enyl]tetrahydropyran-2-yl]methyl]-4-oxo-tetrahydropyran-2-yl]acetate [(1E,3S,4R)-1-iodanyl-4-methyl-hexa-1,5-dien-3-yl] 2-[(2R,6R)-6-[[(2R,6S)-6-[(2S)-2-methylbut-3-enyl]oxan-2-yl]methyl]-4-oxidanylidene-oxan-2-yl]ethanoate
Wiley ID 1691533