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(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, heptamethyl ether

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(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, heptamethyl ether
SpectraBase Compound ID 9jor7gtJqDM
InChI InChI=1S/C33H48O11/c1-34-17-23-21(16-43-33-32(42-9)31(41-8)30(40-7)28(44-33)18-35-2)12-20-14-26(38-5)27(39-6)15-22(20)29(23)19-10-11-24(36-3)25(13-19)37-4/h10-11,13-15,21,23,28-33H,12,16-18H2,1-9H3/t21-,23-,28+,29-,30+,31-,32+,33+/m0/s1
InChIKey PNDOGVWKXWHVGI-BQMUGAFESA-N
Mol Weight 620.7 g/mol
Molecular Formula C33H48O11
Exact Mass 620.319662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1lGq01dePG
Name (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)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 620.319662355 u
Formula C33H48O11
InChI InChI=1S/C33H48O11/c1-34-17-23-21(16-43-33-32(42-9)31(41-8)30(40-7)28(44-33)18-35-2)12-20-14-26(38-5)27(39-6)15-22(20)29(23)19-10-11-24(36-3)25(13-19)37-4/h10-11,13-15,21,23,28-33H,12,16-18H2,1-9H3/t21-,23-,28+,29-,30+,31-,32+,33+/m0/s1
InChIKey PNDOGVWKXWHVGI-BQMUGAFESA-N
Molecular Weight 620.736 g/mol
SMILES [C@]1(OC[C@@]2(CC3=CC(=C(C=C3[C@@]([C@]2(COC)[H])(C2=CC=C(C(=C2)OC)OC)[H])OC)OC)[H])(O[C@@]([C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H]