#9;METHYL-(11S)-JALAPINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->3)]

SpectraBase Compound ID	9w1ja10q4wb
InChI	InChI=1S/C53H94O31/c1-5-6-12-15-24(16-13-10-8-7-9-11-14-17-29(58)72-4)75-52-46(37(66)30(59)22(2)74-52)83-53-47(45(34(63)27(20-56)78-53)82-49-40(69)36(65)33(62)26(19-55)77-49)84-51-42(71)44(31(60)23(3)73-51)81-50-41(70)38(67)43(28(21-57)79-50)80-48-39(68)35(64)32(61)25(18-54)76-48/h22-28,30-57,59-71H,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	NIUCPFCQFWCXSM-DRPKJXHGSA-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	2ne3NgkCGhZ
Name	#9;METHYL-(11S)-JALAPINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[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(58)72-4)75-52-46(37(66)30(59)22(2)74-52)83-53-47(45(34(63)27(20-56)78-53)82-49-40(69)36(65)33(62)26(19-55)77-49)84-51-42(71)44(31(60)23(3)73-51)81-50-41(70)38(67)43(28(21-57)79-50)80-48-39(68)35(64)32(61)25(18-54)76-48/h22-28,30-57,59-71H,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	NIUCPFCQFWCXSM-DRPKJXHGSA-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	UWIR3610