SpectraBase Compound ID | BlJ2vRR3PYE |
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InChI | InChI=1S/C49H78O19/c1-21-28(52)30(54)32(56)40(63-21)65-36-34(58)37(39(60)62-9)66-42(35(36)59)67-38-24(51)19-46(6)26(45(38,4)5)12-13-48(8)27(46)11-10-22-23-18-44(2,3)14-16-49(23,17-15-47(22,48)7)43(61)68-41-33(57)31(55)29(53)25(20-50)64-41/h10,21,23-38,40-42,50-59H,11-20H2,1-9H3/t21-,23?,24-,25+,26?,27?,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,38-,40-,41-,42-,46-,47+,48+,49-/m0/s1 |
InChIKey | NHNWAWHRNGZZSU-KTDKMZSQSA-N |
Mol Weight | 971.1 g/mol |
Molecular Formula | C49H78O19 |
Exact Mass | 970.51373 g/mol |
SpectraBase Spectrum ID | KOTl9oSulQg |
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Name | AMARANTHUS-SAPONIN-I;3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-2-BETA-HYDROXY-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER |
Compound Number | 10 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C49H78O19 |
InChI | InChI=1S/C49H78O19/c1-21-28(52)30(54)32(56)40(63-21)65-36-34(58)37(39(60)62-9)66-42(35(36)59)67-38-24(51)19-46(6)26(45(38,4)5)12-13-48(8)27(46)11-10-22-23-18-44(2,3)14-16-49(23,17-15-47(22,48)7)43(61)68-41-33(57)31(55)29(53)25(20-50)64-41/h10,21,23-38,40-42,50-59H,11-20H2,1-9H3/t21-,23?,24-,25+,26?,27?,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,38-,40-,41-,42-,46-,47+,48+,49-/m0/s1 |
InChIKey | NHNWAWHRNGZZSU-KTDKMZSQSA-N |
Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
Molecular Weight | 971.147 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN1280 |