#8;METHYL-(11S)-JALAPINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSYL-(1->3)]

SpectraBase Compound ID	7sXqTQMq1WK
InChI	InChI=1S/C53H94O31/c1-5-6-12-15-24(16-13-10-8-7-9-11-14-17-29(57)72-4)76-52-46(39(67)30(58)22(2)75-52)83-53-47(84-51-43(71)44(31(59)23(3)74-51)81-49-41(69)37(65)33(61)26(19-55)78-49)45(35(63)27(20-56)79-53)82-50-42(70)38(66)34(62)28(80-50)21-73-48-40(68)36(64)32(60)25(18-54)77-48/h22-28,30-56,58-71H,5-21H2,1-4H3/t22-,23+,24-,25-,26-,27-,28-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44-,45+,46-,47-,48-,49+,50+,51+,52+,53+/m0/s1
InChIKey	GTALEIIQEHOSKS-FVBFDCBNSA-N Google Search
Mol Weight	1227.3 g/mol
Molecular Formula	C53H94O31
Exact Mass	1226.577906 g/mol

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SpectraBase Spectrum ID	J6NdRxh7PGM
Name	#8;METHYL-(11S)-JALAPINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSYL-(1->3)]
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C53H94O31
InChI	InChI=1S/C53H94O31/c1-5-6-12-15-24(16-13-10-8-7-9-11-14-17-29(57)72-4)76-52-46(39(67)30(58)22(2)75-52)83-53-47(84-51-43(71)44(31(59)23(3)74-51)81-49-41(69)37(65)33(61)26(19-55)78-49)45(35(63)27(20-56)79-53)82-50-42(70)38(66)34(62)28(80-50)21-73-48-40(68)36(64)32(60)25(18-54)77-48/h22-28,30-56,58-71H,5-21H2,1-4H3/t22-,23+,24-,25-,26-,27-,28-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44-,45+,46-,47-,48-,49+,50+,51+,52+,53+/m0/s1
InChIKey	GTALEIIQEHOSKS-FVBFDCBNSA-N
Literature Reference Author	A.TAKIGAWA,H.SETOGUCHI,M.OKAWA,J.KINJO,H.MIYASHITA,K.YOKOMIZ O,H.YOSHIMITSU
Literature Reference Citation	CHEM.PHARM.BULL.,59,1163(2011)
Literature Reference DOI	10.1248/cpb.59.1163
Molecular Weight	1227.311 g/mol
Source File Reference	UWIR3609