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(3E,5E)-6-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexa-3,5-dien-2-one, 5me derivative

View entire compound with spectra: 1 NMR

(3E,5E)-6-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexa-3,5-dien-2-one, 5me derivative
SpectraBase Compound ID 2HPiMeACXos
InChI InChI=1S/C23H32O8/c1-15(24)9-7-8-10-16-11-12-17(26-3)18(13-16)30-23-22(29-6)21(28-5)20(27-4)19(31-23)14-25-2/h7-13,19-23H,14H2,1-6H3/b9-7+,10-8+/t19-,20-,21+,22-,23-/m1/s1
InChIKey KEIRACJLVQFEOQ-KSRKVGLCSA-N
Mol Weight 436.5 g/mol
Molecular Formula C23H32O8
Exact Mass 436.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhC3jSKBiPe
Name (3E,5E)-6-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexa-3,5-dien-2-one, 5me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.209717982 u
Formula C23H32O8
InChI InChI=1S/C23H32O8/c1-15(24)9-7-8-10-16-11-12-17(26-3)18(13-16)30-23-22(29-6)21(28-5)20(27-4)19(31-23)14-25-2/h7-13,19-23H,14H2,1-6H3/b9-7+,10-8+/t19-,20-,21+,22-,23-/m1/s1
InChIKey KEIRACJLVQFEOQ-KSRKVGLCSA-N
Molecular Weight 436.501 g/mol
SMILES C1(=C(C=CC(=C1)\C=C\C=C\C(C)=O)OC)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H]