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Populin, tetraacetate
SpectraBase Compound ID LtpAJKwWDDT
InChI InChI=1S/C28H30O12/c1-16(29)34-14-21-12-8-9-13-22(21)39-28-26(38-19(4)32)25(37-18(3)31)24(36-17(2)30)23(40-28)15-35-27(33)20-10-6-5-7-11-20/h5-13,23-26,28H,14-15H2,1-4H3
InChIKey TXHWOVSJAQQGSJ-UHFFFAOYSA-N
Mol Weight 558.54 g/mol
Molecular Formula C28H30O12
Exact Mass 558.173726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYUZ1tD3vsE
Name Populin, tetraacetate
Alternate Name(s) 2-[(2,3,4-Tri-O-acetyl-6-O-benzoylhexopyranosyl)oxy]benzyl acetate [3,4,5-triacetoxy-6-[2-(acetoxymethyl)phenoxy]tetrahydropyran-2-yl]methyl benzoate Populin tetraacetate [3,4,5-triacetyloxy-6-[2-(acetyloxymethyl)phenoxy]oxan-2-yl]methyl benzoate Benzoic acid [3,4,5-triacetyloxy-6-[2-(acetyloxymethyl)phenoxy]-2-oxanyl]methyl ester 2-(2-(acetoxymethyl)phenoxy)-6-((benzoyloxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CAS Registry Number 17019-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O12
InChI InChI=1S/C28H30O12/c1-16(29)34-14-21-12-8-9-13-22(21)39-28-26(38-19(4)32)25(37-18(3)31)24(36-17(2)30)23(40-28)15-35-27(33)20-10-6-5-7-11-20/h5-13,23-26,28H,14-15H2,1-4H3
InChIKey TXHWOVSJAQQGSJ-UHFFFAOYSA-N
Molecular Weight 558.536 g/mol
SMILES CC(=O)OCc1ccccc1OC1C(C(C(C(COC(c2ccccc2)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0a4i-3910000000-87034016cdcc9b6cebd6
Source of Spectrum AD-0-1971-0
Wiley ID 64572