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Peroxy-Acarnoic Acid D - Methyl Ester
SpectraBase Compound ID FxaRzXcvJTU
InChI InChI=1S/C24H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(27-3)20-18-22(28-29-24)21-23(25)26-2/h12-13,22H,4-11,16-21H2,1-3H3/b13-12+/t22-,24+/m0/s1
InChIKey NBLKCFBBBQGKEZ-SDALGCQOSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H40O5
Exact Mass 408.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcgjMW2wWRl
Name Peroxy-Acarnoic Acid D - Methyl Ester
Alternate Name(s) 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-3-dioxanyl]acetic acid methyl ester Methyl 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxydioxan-3-yl]acetate Methyl 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-dioxan-3-yl]acetate Methyl 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-1,2-dioxan-3-yl]ethanoate
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Formula C24H40O5
InChI InChI=1S/C24H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(27-3)20-18-22(28-29-24)21-23(25)26-2/h12-13,22H,4-11,16-21H2,1-3H3/b13-12+/t22-,24+/m0/s1
InChIKey NBLKCFBBBQGKEZ-SDALGCQOSA-N
Molecular Weight 408.579 g/mol
SMILES [C@@]1(OO[C@@](CC1)(CC(=O)OC)[H])(OC)CCCC#C\C=C\CCCCCCCCC
SPLASH splash10-00di-0901000000-18ddd7bfdc3f7a767380
Source of Spectrum G4-64-133-2
Wiley ID 1608780