DOWNEYOSIDE-I;3-BETA-O-[ALPHA-ARABINOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-(22S,23S,23S)-22,23-EPOXY-24-METHYL-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE

SpectraBase Compound ID	BrPxqkgcvoM
InChI	InChI=1S/C39H62O16S.Na/c1-16(2)17(3)31-32(52-31)18(4)21-7-8-22-20-14-26(55-56(47,48)49)24-13-19(9-11-39(24,6)23(20)10-12-38(21,22)5)51-37-34(29(43)28(42)33(53-37)35(45)46)54-36-30(44)27(41)25(40)15-50-36;/h10,16-22,24-34,36-37,40-44H,7-9,11-15H2,1-6H3,(H,45,46)(H,47,48,49);/q;+1/p-1/t17-,18-,19-,20?,21+,22?,24?,25-,26-,27-,28-,29-,30+,31-,32+,33-,34+,36-,37+,38+,39+;/m0./s1
InChIKey	RKHWGUGIGCRKKG-ABPQIOOWSA-M Google Search
Mol Weight	841.0 g/mol
Molecular Formula	C39H61NaO16S
Exact Mass	840.357801 g/mol

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SpectraBase Spectrum ID	1oqsjOPy81m
Name	DOWNEYOSIDE-I;3-BETA-O-[ALPHA-ARABINOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-(22S,23S,23S)-22,23-EPOXY-24-METHYL-5-ALPHA-CHOLEST-9(11)-EN-6-ALPHA-YL-SULFATE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C39H61NaO16S
InChI	InChI=1S/C39H62O16S.Na/c1-16(2)17(3)31-32(52-31)18(4)21-7-8-22-20-14-26(55-56(47,48)49)24-13-19(9-11-39(24,6)23(20)10-12-38(21,22)5)51-37-34(29(43)28(42)33(53-37)35(45)46)54-36-30(44)27(41)25(40)15-50-36;/h10,16-22,24-34,36-37,40-44H,7-9,11-15H2,1-6H3,(H,45,46)(H,47,48,49);/q;+1/p-1/t17-,18-,19-,20?,21+,22?,24?,25-,26-,27-,28-,29-,30+,31-,32+,33-,34+,36-,37+,38+,39+;/m0./s1
InChIKey	RKHWGUGIGCRKKG-ABPQIOOWSA-M
Literature Reference Author	E.PALAGIANO,F.ZOLLO,L.MINALE,M.IORIZZI,P.BRYAN,J.MCCLINTOCK, T.HOPKINS
Literature Reference Citation	J.NAT.PROD.,59,348(1996)
Literature Reference DOI	10.1021/np9601014
Molecular Weight	840.954 g/mol
Solvent	CD3OD
Source File Reference	UWCS15394