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Peroxyacarnoic Acid A - Methyl Ester
SpectraBase Compound ID DrorICu76BS
InChI InChI=1S/C24H38O5/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/h4,12-13,22H,1,5-11,16-21H2,2-3H3/b13-12+/t22-,24+/m0/s1
InChIKey CBSYJKYAPRBDHQ-SDALGCQOSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F82ppsQUw71
Name Peroxyacarnoic Acid A - Methyl Ester
Alternate Name(s) 2-[(3S)-6-[(6E)-hexadeca-6,15-dien-4-ynyl]-6-methoxy-3-dioxanyl]acetic acid methyl ester Methyl 2-[(3S)-6-[(6E)-hexadeca-6,15-dien-4-ynyl]-6-methoxydioxan-3-yl]acetate Methyl 2-[(3S)-6-[(6E)-hexadeca-6,15-dien-4-ynyl]-6-methoxy-dioxan-3-yl]acetate Methyl 2-[(3S)-6-[(6E)-hexadeca-6,15-dien-4-ynyl]-6-methoxy-1,2-dioxan-3-yl]ethanoate
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Formula C24H38O5
InChI InChI=1S/C24H38O5/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/h4,12-13,22H,1,5-11,16-21H2,2-3H3/b13-12+/t22-,24+/m0/s1
InChIKey CBSYJKYAPRBDHQ-SDALGCQOSA-N
Molecular Weight 406.563 g/mol
SMILES [C@@]1(OO[C@@](CC1)(CC(=O)OC)[H])(OC)CCCC#C\C=C\CCCCCCCC=C
SPLASH splash10-014i-0902000000-b6dfbf7ff0f9530f7b08
Source of Spectrum G4-61-493-1
Wiley ID 1607219