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Syringalactone B
SpectraBase Compound ID 7EBB4AczOld
InChI InChI=1S/C24H30O13/c1-10-18-12(7-17(28)35-10)13(22(32)33-5-4-11-2-3-14(26)15(27)6-11)9-34-23(18)37-24-21(31)20(30)19(29)16(8-25)36-24/h2-3,6,9-10,12,16,18-21,23-27,29-31H,4-5,7-8H2,1H3/t10-,12-,16-,18-,19-,20+,21-,23+,24+/m1/s1
InChIKey MZJRUTGNOKVUEW-KDGGUJSUSA-N
Mol Weight 526.49 g/mol
Molecular Formula C24H30O13
Exact Mass 526.168641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bgb5IyfQK8B
Name Syringalactone B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O13
InChI InChI=1S/C24H30O13/c1-10-18-12(7-17(28)35-10)13(22(32)33-5-4-11-2-3-14(26)15(27)6-11)9-34-23(18)37-24-21(31)20(30)19(29)16(8-25)36-24/h2-3,6,9-10,12,16,18-21,23-27,29-31H,4-5,7-8H2,1H3/t10-,12-,16-,18-,19-,20+,21-,23+,24+/m1/s1
InChIKey MZJRUTGNOKVUEW-KDGGUJSUSA-N
Literature Reference DOI 10.1002/jccs.200000049
Molecular Weight 526.491 g/mol
SMILES Oc1c(cc(CCOC(C=2[C@@]3([C@]([C@](O[C@]4([C@@]([C@]([C@@]([C@](O4)(CO)[H])(O)[H])(O)[H])(O)[H])[H])(OC2)[H])([C@](OC(C3)=O)(C)[H])[H])[H])=O)cc1)O
SPLASH splash10-00dr-1900000000-bf63dbac683732818826
Source of Spectrum QA-47-370-2
Synonyms 3,4-Dihydroxyphenethyl (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate
Wiley ID 1795108