TIGOGENIN-3-O-BETA-XYLOPYRANOSYL-(1->2)-[BETA-XYLOPYR.(1->3)]-BETA-GLUCOPYR.(1->4)-[ALPHA-RHAMNOPYR.(1->2)]-BETA-GALACTOPYRANOSIDE

SpectraBase Compound ID	I6Rgqfdin0Z
InChI	InChI=1S/C56H94O26/c1-22(17-57)9-14-56(71-6)23(2)35-32(82-56)16-29-27-8-7-25-15-26(10-12-54(25,4)28(27)11-13-55(29,35)5)75-52-47(80-51-43(69)40(66)36(62)24(3)74-51)44(70)45(34(19-59)77-52)78-53-48(81-50-42(68)38(64)31(61)21-73-50)46(39(65)33(18-58)76-53)79-49-41(67)37(63)30(60)20-72-49/h22-53,57-70H,7-21H2,1-6H3/t22-,23+,24-,25?,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,55+,56?/m1/s1
InChIKey	LEZPWGSVPTWBJT-NSTIMTSTSA-N Google Search
Mol Weight	1183.3 g/mol
Molecular Formula	C56H94O26
Exact Mass	1182.603333 g/mol

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SpectraBase Spectrum ID	LHXKDWM1f5C
Name	TIGOGENIN-3-O-BETA-XYLOPYRANOSYL-(1->2)-[BETA-XYLOPYR.(1->3)]-BETA-GLUCOPYR.(1->4)-[ALPHA-RHAMNOPYR.(1->2)]-BETA-GALACTOPYRANOSIDE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C56H94O26
InChI	InChI=1S/C56H94O26/c1-22(17-57)9-14-56(71-6)23(2)35-32(82-56)16-29-27-8-7-25-15-26(10-12-54(25,4)28(27)11-13-55(29,35)5)75-52-47(80-51-43(69)40(66)36(62)24(3)74-51)44(70)45(34(19-59)77-52)78-53-48(81-50-42(68)38(64)31(61)21-73-50)46(39(65)33(18-58)76-53)79-49-41(67)37(63)30(60)20-72-49/h22-53,57-70H,7-21H2,1-6H3/t22-,23+,24-,25?,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,55+,56?/m1/s1
InChIKey	LEZPWGSVPTWBJT-NSTIMTSTSA-N
Literature Reference Author	Y.X.XU,H.S.CHEN,H.Q.LIANG,Z.B.GU,W.Y.LIU,W.H.LEUNG,T.J.LI
Literature Reference Citation	PLANTA.MED.,66,545(2000)
Literature Reference DOI	10.1055/s-2000-8609
Molecular Weight	1183.347 g/mol
Solvent	PYRIDINE
Source File Reference	UIAP1458