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Kaempferitrin

View entire compound with spectra: 1 MS (GC)

Kaempferitrin
SpectraBase Compound ID HDju1Ygzj6U
InChI InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26?,27?/m1/s1
InChIKey PUPKKEQDLNREIM-JMHGZOIISA-N
Mol Weight 578.52 g/mol
Molecular Formula C27H30O14
Exact Mass 578.163556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JuxFYQLgYR
Name Kaempferitrin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O14
InChI InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26?,27?/m1/s1
InChIKey PUPKKEQDLNREIM-JMHGZOIISA-N
Molecular Weight 578.523 g/mol
SMILES Oc1ccc(C=2Oc3cc(cc(c3C(C2OC2[C@]([C@]([C@@]([C@](O2)(C)[H])(O)[H])(O)[H])(O)[H])=O)O)OC2[C@]([C@@](O)([C@@]([C@](O2)(C)[H])(O)[H])[H])(O)[H])cc1
SPLASH splash10-000i-0090320000-d4cef213eb3a84f45f89
Source of Spectrum D9-20-1043-K
Synonyms 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy]chromen-4-one 2-(4-hydroxyphenyl)-3,7-bis[[(3S,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-chromen-4-one
Wiley ID 1695464