#9A;QUAMOCLINIC-ACID-D;(3S,11S)-IPUROLIC-ACID-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-FUCOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAM

SpectraBase Compound ID	BG5NQPe6MGE
InChI	InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19+,20-,21+,22+,23+,24+,25-,27+,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49-,50+/m1/s1
InChIKey	XYVNPFSOKQESQT-PXKXVDCOSA-N Google Search
Mol Weight	1169.2 g/mol
Molecular Formula	C50H88O30
Exact Mass	1168.536041 g/mol

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SpectraBase Spectrum ID	3fWMbgt735u
Name	#9A;QUAMOCLINIC-ACID-D;(3S,11S)-IPUROLIC-ACID-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-FUCOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAM
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C50H88O30
InChI	InChI=1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(53)15-26(54)55)73-48-42(34(63)29(58)20(4)71-48)80-50-44(36(65)31(60)25(17-52)75-50)79-47-39(68)41(40(21(5)72-47)76-45-37(66)32(61)27(56)18(2)69-45)77-49-43(35(64)30(59)24(16-51)74-49)78-46-38(67)33(62)28(57)19(3)70-46/h18-25,27-53,56-68H,6-17H2,1-5H3,(H,54,55)/t18-,19+,20-,21+,22+,23+,24+,25-,27+,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49-,50+/m1/s1
InChIKey	XYVNPFSOKQESQT-PXKXVDCOSA-N
Literature Reference Author	M.ONO,Y.TAKAGI-TAKI,F.HONDA-YAMADA,N.NODA,K.MIYAHARA
Literature Reference Citation	CHEM.PHARM.BULL.,58,666(2010)
Literature Reference DOI	10.1248/cpb.58.666
Molecular Weight	1169.231 g/mol
Source File Reference	UWBT4062