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3-O-[.alpha.-L-Rhamnopyranosyl-(1->2).alpha.-L-arabinopyranosyl-(1->2).beta.-D-glucuronopyranosylmethylester]-sophorodiol
SpectraBase Compound ID 9s6270MSvnG
InChI InChI=1S/C48H78O16/c1-22-30(51)32(53)35(56)40(60-22)63-37-31(52)25(49)21-59-41(37)64-38-34(55)33(54)36(39(57)58-10)62-42(38)61-29-14-15-46(7)26(44(29,4)5)13-16-48(9)27(46)12-11-23-24-19-43(2,3)20-28(50)45(24,6)17-18-47(23,48)8/h11,22,24-38,40-42,49-56H,12-21H2,1-10H3/t22-,24-,25-,26?,27?,28+,29-,30-,31-,32+,33-,34-,35+,36-,37+,38+,40-,41-,42+,45+,46-,47+,48+/m0/s1
InChIKey SHYOYCFMMJYBKR-RGCHTQORSA-N
Mol Weight 911.1 g/mol
Molecular Formula C48H78O16
Exact Mass 910.528986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8iZhBQ6b3J9
Name 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLMETHYLESTER]-SOPHORODIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O16
InChI InChI=1S/C48H78O16/c1-22-30(51)32(53)35(56)40(60-22)63-37-31(52)25(49)21-59-41(37)64-38-34(55)33(54)36(39(57)58-10)62-42(38)61-29-14-15-46(7)26(44(29,4)5)13-16-48(9)27(46)12-11-23-24-19-43(2,3)20-28(50)45(24,6)17-18-47(23,48)8/h11,22,24-38,40-42,49-56H,12-21H2,1-10H3/t22-,24-,25-,26?,27?,28+,29-,30-,31-,32+,33-,34-,35+,36-,37+,38+,40-,41-,42+,45+,46-,47+,48+/m0/s1
InChIKey SHYOYCFMMJYBKR-RGCHTQORSA-N
Literature Reference Author J.-E.KINJO,T.TAKESHITA,Y.ABE,N.TERADA,H.YAMASHITA,M.YAMASAKI ,K.TAKEUCHI,K.MURAKA
Literature Reference Citation CHEM.PHARM.BULL.,36,1174(1988)
Literature Reference DOI 10.1248/cpb.36.1174
Molecular Weight 911.138 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK45