#3;BIS-[[(2R,3R)-3-(4-HYDROXY-3-METHOXYPHENYL)-6-[(2R,3R)-3,5,7-TRIHYDROXY-4-OXOCHROMAN-2-YL)-2,3-DIHYDROBENZO-[B]-[1,4]-DIOXIN-2-YL]-METHYL]-DODECANEDI

SpectraBase Compound ID	GGhJIPdZObG
InChI	InChI=1S/C62H62O22/c1-75-43-21-31(13-17-37(43)65)59-49(79-41-19-15-33(23-45(41)81-59)61-57(73)55(71)53-39(67)25-35(63)27-47(53)83-61)29-77-51(69)11-9-7-5-3-4-6-8-10-12-52(70)78-30-50-60(32-14-18-38(66)44(22-32)76-2)82-46-24-34(16-20-42(46)80-50)62-58(74)56(72)54-40(68)26-36(64)28-48(54)84-62/h13-28,49-50,57-68,73-74H,3-12,29-30H2,1-2H3/t49?,50?,57-,58-,59?,60?,61+,62+/m0/s1
InChIKey	PLTYZOJRZJANQG-PTLYBBCGSA-N Google Search
Mol Weight	1159.2 g/mol
Molecular Formula	C62H62O22
Exact Mass	1158.373274 g/mol

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SpectraBase Spectrum ID	I627OSM4fRQ
Name	#3;BIS-[[(2R,3R)-3-(4-HYDROXY-3-METHOXYPHENYL)-6-[(2R,3R)-3,5,7-TRIHYDROXY-4-OXOCHROMAN-2-YL)-2,3-DIHYDROBENZO-[B]-[1,4]-DIOXIN-2-YL]-METHYL]-DODECANEDI
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C62H62O22
InChI	InChI=1S/C62H62O22/c1-75-43-21-31(13-17-37(43)65)59-49(79-41-19-15-33(23-45(41)81-59)61-57(73)55(71)53-39(67)25-35(63)27-47(53)83-61)29-77-51(69)11-9-7-5-3-4-6-8-10-12-52(70)78-30-50-60(32-14-18-38(66)44(22-32)76-2)82-46-24-34(16-20-42(46)80-50)62-58(74)56(72)54-40(68)26-36(64)28-48(54)84-62/h13-28,49-50,57-68,73-74H,3-12,29-30H2,1-2H3/t49?,50?,57-,58-,59?,60?,61+,62+/m0/s1
InChIKey	PLTYZOJRZJANQG-PTLYBBCGSA-N
Literature Reference Author	E.VAVRIKOVA,J.VACEK,K.VALENTOVA,P.MARHOL,J.ULRICHIVA,M.KUZMA ,V.KREN
Literature Reference Citation	MOLECULES,19,4115(2014)
Literature Reference DOI	10.3390/molecules19044115
Molecular Weight	1159.161 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT14621