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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 HBQez8M5oZZ
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 C=1C(OOC(C1)CC(OC)=O)(OC)CCCCCCCCCCCCCCCC
SPLASH splash10-0bu3-9302000000-48f1d23c3b8cc40d032d
Source of Spectrum NP-14-7184-0
Wiley ID 1111943