#3;QUAMOCLIN-VII;11S-CONVOLVULINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-2S-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1-4)

SpectraBase Compound ID	29a3ePbmTlm
InChI	InChI=1S/C50H88O25/c1-9-18-27(19-16-14-12-11-13-15-17-20-29(52)64-8)69-50-44(33(56)30(53)23(4)65-50)75-47-38(61)35(58)41(25(6)67-47)72-49-39(62)43(74-48-36(59)32(55)31(54)28(21-51)70-48)42(26(7)68-49)73-46-37(60)34(57)40(24(5)66-46)71-45(63)22(3)10-2/h22-28,30-44,46-51,53-62H,9-21H2,1-8H3/t22-,23-,24+,25+,26+,27-,28+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,46+,47+,48-,49+,50+/m0/s1
InChIKey	JFCYOWZTQXDKAJ-QRRFCRNVSA-N Google Search
Mol Weight	1089.2 g/mol
Molecular Formula	C50H88O25
Exact Mass	1088.561468 g/mol

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SpectraBase Spectrum ID	8iP2ZzKKTvM
Name	#3;QUAMOCLIN-VII;11S-CONVOLVULINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-2S-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1-4)
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C50H88O25
InChI	InChI=1S/C50H88O25/c1-9-18-27(19-16-14-12-11-13-15-17-20-29(52)64-8)69-50-44(33(56)30(53)23(4)65-50)75-47-38(61)35(58)41(25(6)67-47)72-49-39(62)43(74-48-36(59)32(55)31(54)28(21-51)70-48)42(26(7)68-49)73-46-37(60)34(57)40(24(5)66-46)71-45(63)22(3)10-2/h22-28,30-44,46-51,53-62H,9-21H2,1-8H3/t22-,23-,24+,25+,26+,27-,28+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,46+,47+,48-,49+,50+/m0/s1
InChIKey	JFCYOWZTQXDKAJ-QRRFCRNVSA-N
Literature Reference Author	M.ONO,Y.TAKAKI,M.TAKATSUJI,K.AKIYAMA,M.OKAWA,J.KINJO,H.MIYAS HITA,H.YOSHIMITSU,T.
Literature Reference Citation	CHEM.PHARM.BULL.,60,1083(2012)
Literature Reference DOI	10.1248/cpb.c12-00334
Molecular Weight	1089.234 g/mol
Source File Reference	UWBT4498