#11;TIGOGENIN-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT

SpectraBase Compound ID	J2i37skqIqu
InChI	InChI=1S/C56H92O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-51-43(69)40(66)45(33(18-59)77-51)78-53-48(47(38(64)32(17-58)76-53)80-49-41(67)36(62)29(60)20-71-49)81-52-44(70)46(37(63)31(16-57)75-52)79-50-42(68)39(65)35(61)23(3)73-50/h21-53,57-70H,6-20H2,1-5H3/t21-,22+,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	JNBOWHOQFAKNTH-JFMFJOOPSA-N Google Search
Mol Weight	1181.3 g/mol
Molecular Formula	C56H92O26
Exact Mass	1180.587683 g/mol

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SpectraBase Spectrum ID	JQ27Etdbucs
Name	#11;TIGOGENIN-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C56H92O26
InChI	InChI=1S/C56H92O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-51-43(69)40(66)45(33(18-59)77-51)78-53-48(47(38(64)32(17-58)76-53)80-49-41(67)36(62)29(60)20-71-49)81-52-44(70)46(37(63)31(16-57)75-52)79-50-42(68)39(65)35(61)23(3)73-50/h21-53,57-70H,6-20H2,1-5H3/t21-,22+,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	JNBOWHOQFAKNTH-JFMFJOOPSA-N
Literature Reference Author	Y.MIMAKI,O.NAKAMURA,Y.SASHIDA,T.NIKAIDO,T.OHMOTO
Literature Reference Citation	PHYTOCHEM.,38,1279(1995)
Literature Reference DOI	10.1016/0031-9422(94)00790-Z
Molecular Weight	1181.331 g/mol
Solvent	C5D5N
Source File Reference	UWMS3976