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 |
SpectraBase Spectrum ID | CGX8M4CxRwU |
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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 |