METHYL 6-O-ALLYL-4-O-ACETYL-2-O-BENZYL-3-O-[2,3-O-ISOPROPYLIDENE-4-O-(2-O-ACETYL-4,6-DI-O-BENZYL-3-O-PARA-METHOXYBENZYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-L-RHAMNOPYRANOSYL]-1-THIO-BETA-D-GALACTOPYRANOSIDE

SpectraBase Compound ID	LQLRbhFXUAR
InChI	InChI=1S/C58H72O17S/c1-9-29-62-34-45-48(68-37(3)59)50(54(57(71-45)76-8)66-32-41-23-17-12-18-24-41)73-56-53-51(74-58(5,6)75-53)46(36(2)67-56)72-55-52(69-38(4)60)49(65-33-42-25-27-43(61-7)28-26-42)47(64-31-40-21-15-11-16-22-40)44(70-55)35-63-30-39-19-13-10-14-20-39/h9-28,36,44-57H,1,29-35H2,2-8H3/t36-,44+,45+,46-,47+,48-,49-,50-,51+,52-,53+,54+,55+,56-,57-/m0/s1
InChIKey	XEBRITDZQOGUDK-AEUANFDCSA-N Google Search
Mol Weight	1073.3 g/mol
Molecular Formula	C58H72O17S
Exact Mass	1072.449022 g/mol

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SpectraBase Spectrum ID	FUZaRxs8ZA9
Name	METHYL 6-O-ALLYL-4-O-ACETYL-2-O-BENZYL-3-O-[2,3-O-ISOPROPYLIDENE-4-O-(2-O-ACETYL-4,6-DI-O-BENZYL-3-O-PARA-METHOXYBENZYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-L-RHAMNOPYRANOSYL]-1-THIO-BETA-D-GALACTOPYRANOSIDE
Comments	S
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C58H72O17S
InChI	InChI=1S/C58H72O17S/c1-9-29-62-34-45-48(68-37(3)59)50(54(57(71-45)76-8)66-32-41-23-17-12-18-24-41)73-56-53-51(74-58(5,6)75-53)46(36(2)67-56)72-55-52(69-38(4)60)49(65-33-42-25-27-43(61-7)28-26-42)47(64-31-40-21-15-11-16-22-40)44(70-55)35-63-30-39-19-13-10-14-20-39/h9-28,36,44-57H,1,29-35H2,2-8H3/t36-,44+,45+,46-,47+,48-,49-,50-,51+,52-,53+,54+,55+,56-,57-/m0/s1
InChIKey	XEBRITDZQOGUDK-AEUANFDCSA-N
Instrument Name	Bruker WM-250
Literature Reference	A.YA.CHERNYAK, K.V.ANTONOV, N.K.KOCHETKOV (1989) Bioorganich.Khim.(Russ.Lang.): v.15, N8, 1113-1127.
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3