![AMARANTHUS-SAPONIN-I;3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-2-BETA-HYDROXY-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/KOTl9oSulQg/structure.png?h=300&w=458 "AMARANTHUS-SAPONIN-I;3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-2-BETA-HYDROXY-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | BlJ2vRR3PYE |
|---|---|
| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOTl9oSulQg |
|---|---|
| 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 |