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(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol, heptamethyl ether

View entire compound with spectra: 1 NMR

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol, heptamethyl ether
SpectraBase Compound ID L3YvYSaNNGO
InChI InChI=1S/C28H46O11/c1-17(9-10-18-11-13-19(30-3)14-12-18)37-28-26(35-8)24(33-6)22(31-4)21(39-28)16-36-27-25(34-7)23(32-5)20(38-27)15-29-2/h11-14,17,20-28H,9-10,15-16H2,1-8H3/t17?,20?,21-,22-,23-,24+,25-,26-,27-,28-/m1/s1
InChIKey JXSMCPVFYWHUKA-CNLYRCIDSA-N
Mol Weight 558.7 g/mol
Molecular Formula C28H46O11
Exact Mass 558.304012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTMElCNOStG
Name (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol, heptamethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.304012290 u
Formula C28H46O11
InChI InChI=1S/C28H46O11/c1-17(9-10-18-11-13-19(30-3)14-12-18)37-28-26(35-8)24(33-6)22(31-4)21(39-28)16-36-27-25(34-7)23(32-5)20(38-27)15-29-2/h11-14,17,20-28H,9-10,15-16H2,1-8H3/t17?,20?,21-,22-,23-,24+,25-,26-,27-,28-/m1/s1
InChIKey JXSMCPVFYWHUKA-CNLYRCIDSA-N
Molecular Weight 558.665 g/mol
SMILES [C@]1(O[C@]([C@@]([C@]([C@@]1(OC)[H])(OC)[H])(OC)[H])(OC(C)CCC1=CC=C(C=C1)OC)[H])(CO[C@@]1(OC(COC)[C@]([C@]1(OC)[H])(OC)[H])[H])[H]