(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 Google Search
Mol Weight	620.7 g/mol
Molecular Formula	C33H48O11
Exact Mass	620.319662 g/mol

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SpectraBase Spectrum ID	H3QxME7vOL8
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 SmartSpectra Model v1.42
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]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.873441