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(23S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23-TRIOL-1-O-[O-(2,3-O-DIACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALPHA-L
SpectraBase Compound ID CChgtBMAYtF
InChI InChI=1S/C47H70O19/c1-19-12-32(53)47(59-16-19)20(2)34-31(66-47)15-28-26-9-8-24-13-25(50)14-33(46(24,7)27(26)10-11-45(28,34)6)63-43-40(38(30(52)18-58-43)64-42-37(56)36(55)29(51)17-57-42)65-44-41(62-23(5)49)39(61-22(4)48)35(54)21(3)60-44/h8,20-21,25-44,50-56H,1,9-18H2,2-7H3/t20-,21+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-,47-/m0/s1
InChIKey WXFXYSDQQATLRO-VPJFLSEQSA-N
Mol Weight 939.1 g/mol
Molecular Formula C47H70O19
Exact Mass 938.45113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGX8M4CxRwU
Name (23S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23-TRIOL-1-O-[O-(2,3-O-DIACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALPHA-L
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H70O19
InChI InChI=1S/C47H70O19/c1-19-12-32(53)47(59-16-19)20(2)34-31(66-47)15-28-26-9-8-24-13-25(50)14-33(46(24,7)27(26)10-11-45(28,34)6)63-43-40(38(30(52)18-58-43)64-42-37(56)36(55)29(51)17-57-42)65-44-41(62-23(5)49)39(61-22(4)48)35(54)21(3)60-44/h8,20-21,25-44,50-56H,1,9-18H2,2-7H3/t20-,21+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-,47-/m0/s1
InChIKey WXFXYSDQQATLRO-VPJFLSEQSA-N
Literature Reference Author Y.MIMAKI,T.INOUE,M.KURODA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,43,1325(1996)
Literature Reference DOI 10.1016/S0031-9422(96)00397-4
Molecular Weight 939.061 g/mol
Solvent C5D5N
Source File Reference UWMS2421