SpectraBase Compound ID | GV1TO5rHmnl |
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InChI | InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44?,45?,46+,47?,48?/m0/s1 |
InChIKey | CROUPKILZUPLQA-APGDPHSOSA-N |
Mol Weight | 941.1 g/mol |
Molecular Formula | C48H76O18 |
Exact Mass | 940.503166 g/mol |
SpectraBase Spectrum ID | 1bbidNBVzOb |
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Name | SOYBEAN-SAPONIN-BE;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-SOYASAPOGENOL-E |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H76O18 |
InChI | InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44?,45?,46+,47?,48?/m0/s1 |
InChIKey | CROUPKILZUPLQA-APGDPHSOSA-N |
Literature Reference Author | M.SHIRAIWA,K.HARADA,K.OKUBO |
Literature Reference Citation | AGR.BIOL.CHEM.,55,911(1991) |
Literature Reference DOI | 10.1271/bbb1961.55.911 |
Molecular Weight | 941.121 g/mol |
Solvent | C5D5N |
Source File Reference | UWBT7732 |