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6-epi-Chondrillin

View entire compound with spectra: 2 MS (GC)

6-epi-Chondrillin
SpectraBase Compound ID E4VjkfSpg00
InChI InChI=1S/C24H44O5/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/h18,20,22H,4-17,19,21H2,1-3H3
InChIKey ZKFUKHCEACWDKL-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H44O5
Exact Mass 412.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17eg5SfnayF
Name 6-epi-Chondrillin
Alternate Name(s) Methyl (6-hexadecyl-6-methoxy-3,6-dihydro-1,2-dioxin-3-yl)acetate 1,2-Dioxin-3-acetic acid, 6-hexadecyl-3,6-dihydro-6-methoxy-, methyl ester 2-(6-hexadecyl-6-methoxy-3H-1,2-dioxin-3-yl)acetic acid methyl ester methyl 2-(6-hexadecyl-6-methoxy-3H-1,2-dioxin-3-yl)acetate methyl 2-(6-hexadecyl-6-methoxy-3H-1,2-dioxin-3-yl)ethanoate
CAS Registry Number 61656-50-6
Comments Less than 3 mono-isotopic peaks
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Formula C24H44O5
InChI InChI=1S/C24H44O5/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/h18,20,22H,4-17,19,21H2,1-3H3
InChIKey ZKFUKHCEACWDKL-UHFFFAOYSA-N
Molecular Weight 412.611 g/mol
SMILES C1(OOC(CC(=O)OC)C=C1)(OC)CCCCCCCCCCCCCCCC
SPLASH splash10-01q9-0409000000-6aa9362f58150ebee1c9
Source of Spectrum X2-53-930-2
Wiley ID 1603647