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[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(1,4-dioxo-2-naphthyl)oxy]tetrahydropyran-2-yl]methyl acetate
SpectraBase Compound ID 2WoIduD8ZWZ
InChI InChI=1S/C24H24O12/c1-11(25)31-10-19-21(32-12(2)26)22(33-13(3)27)23(34-14(4)28)24(36-19)35-18-9-17(29)15-7-5-6-8-16(15)20(18)30/h5-9,19,21-24H,10H2,1-4H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey PCIKOXAOUDWGHD-PFKOEMKTSA-N
Mol Weight 504.44 g/mol
Molecular Formula C24H24O12
Exact Mass 504.126776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azxp5iG57mi
Name [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(1,4-dioxo-2-naphthyl)oxy]tetrahydropyran-2-yl]methyl acetate
CAS Registry Number 41431-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O12
InChI InChI=1S/C24H24O12/c1-11(25)31-10-19-21(32-12(2)26)22(33-13(3)27)23(34-14(4)28)24(36-19)35-18-9-17(29)15-7-5-6-8-16(15)20(18)30/h5-9,19,21-24H,10H2,1-4H3/t19-,21-,22+,23-,24-/m1/s1
InChIKey PCIKOXAOUDWGHD-PFKOEMKTSA-N
Molecular Weight 504.444 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(OC1=CC(=O)c2c(C1=O)cccc2)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-00kf-5910000000-529cf2141553a2da4a59
Source of Spectrum W5-1989-24835-1
Synonyms [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[1,4-bis(oxidanylidene)naphthalen-2-yl]oxy-oxan-2-yl]methyl ethanoate Acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1,4-dioxo-2-naphthalenyl)oxy]-2-oxanyl]methyl ester
Wiley ID 1399472