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Galacto-buxin
SpectraBase Compound ID EjtwYdL3lge
InChI InChI=1S/C25H28O13/c1-32-12-7-10(5-6-11(12)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15?,17-,20?,21?,25-/m0/s1
InChIKey RHTMFBCTQXIHQT-NXTLKINBSA-N
Mol Weight 536.49 g/mol
Molecular Formula C25H28O13
Exact Mass 536.152991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22uuWGNUL7W
Name Galacto-buxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O13
InChI InChI=1S/C25H28O13/c1-32-12-7-10(5-6-11(12)37-25-21(31)20(30)17(27)15(9-26)38-25)22-24(35-4)19(29)16-13(36-22)8-14(33-2)23(34-3)18(16)28/h5-8,15,17,20-21,25-28,30-31H,9H2,1-4H3/t15?,17-,20?,21?,25-/m0/s1
InChIKey RHTMFBCTQXIHQT-NXTLKINBSA-N
Molecular Weight 536.486 g/mol
SMILES Oc1c2c(OC(c3ccc(O[C@@]4(C(C([C@](C(CO)O4)(O)[H])O)O)[H])c(c3)OC)=C(C2=O)OC)cc(c1OC)OC
SPLASH splash10-0600-7209000000-ce791b7040dce95ae4ba
Source of Spectrum X2-54-81-1
Synonyms 5-Hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one 5-Hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one 5-Hydroxy-3,6,7-trimethoxy-2-[3-methoxy-4-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one 2-[4-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methoxy-phenyl]-3,6,7-trimethoxy-5-oxidanyl-chromen-4-one
Wiley ID 1603865