#4;HABENARIOSIDE;[(2R)-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-OXY]-2-(2-METHYLPROPYL)-1,4-DIOXO-1,4-BUTANE-DIYL]-BIS-(OXYMETHYLENE-4,1-PHENYLENE)-BI

SpectraBase Compound ID	1DqCUAMv1mE
InChI	InChI=1S/C48H64O26/c1-22(2)15-48(47(62)65-20-28-9-13-30(14-10-28)70-45-40(61)38(59)36(57)32(18-50)72-45,16-34(55)64-19-27-7-11-29(12-8-27)69-44-39(60)37(58)35(56)31(17-49)71-44)74-46-43(68-26(6)54)42(67-25(5)53)41(66-24(4)52)33(73-46)21-63-23(3)51/h7-14,22,31-33,35-46,49-50,56-61H,15-21H2,1-6H3/t31-,32+,33-,35-,36+,37+,38-,39-,40+,41-,42+,43-,44-,45+,46+,48-/m1/s1
InChIKey	FWZMQRFUBFPVGF-ZNHSJIPNSA-N Google Search
Mol Weight	1057.0 g/mol
Molecular Formula	C48H64O26
Exact Mass	1056.368582 g/mol

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SpectraBase Spectrum ID	EendvPpXsdx
Name	#4;HABENARIOSIDE;[(2R)-2-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-OXY]-2-(2-METHYLPROPYL)-1,4-DIOXO-1,4-BUTANE-DIYL]-BIS-(OXYMETHYLENE-4,1-PHENYLENE)-BI
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C48H64O26
InChI	InChI=1S/C48H64O26/c1-22(2)15-48(47(62)65-20-28-9-13-30(14-10-28)70-45-40(61)38(59)36(57)32(18-50)72-45,16-34(55)64-19-27-7-11-29(12-8-27)69-44-39(60)37(58)35(56)31(17-49)71-44)74-46-43(68-26(6)54)42(67-25(5)53)41(66-24(4)52)33(73-46)21-63-23(3)51/h7-14,22,31-33,35-46,49-50,56-61H,15-21H2,1-6H3/t31-,32+,33-,35-,36+,37+,38-,39-,40+,41-,42+,43-,44-,45+,46+,48-/m1/s1
InChIKey	FWZMQRFUBFPVGF-ZNHSJIPNSA-N
Literature Reference Author	B.B.COTA,A.MAGALHAES,A.M.C.PIMENTA,E.P.SIQUEIRA,T.M.A.ALVES, C.L.ZANI
Literature Reference Citation	J.BRAZ.CHEM.SOC.,19,1098(2008)
Literature Reference DOI	10.1590/s0103-50532008000600007
Molecular Weight	1057.021 g/mol
Source File Reference	UWIR5232