![AMARANTHUS-SAPONIN-II;3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-2-BETA-HYDROXY-GYPSOGENIN-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/HB4gFFqrIca/structure.png?h=300&w=458 "AMARANTHUS-SAPONIN-II;3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-2-BETA-HYDROXY-GYPSOGENIN-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 6xDe9woFfv1 |
|---|---|
| InChI | InChI=1S/C49H76O20/c1-21-28(53)30(55)32(57)40(64-21)66-36-34(59)37(39(61)63-8)67-42(35(36)60)68-38-24(52)18-45(4)26(46(38,5)20-51)11-12-48(7)27(45)10-9-22-23-17-44(2,3)13-15-49(23,16-14-47(22,48)6)43(62)69-41-33(58)31(56)29(54)25(19-50)65-41/h9,20-21,23-38,40-42,50,52-60H,10-19H2,1-8H3/t21-,23?,24-,25+,26?,27?,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,38-,40-,41-,42-,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | KMWHLEFFEQMLCK-CQTBIRQASA-N |
| Mol Weight | 985.1 g/mol |
| Molecular Formula | C49H76O20 |
| Exact Mass | 984.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HB4gFFqrIca |
|---|---|
| Name | AMARANTHUS-SAPONIN-II;3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-2-BETA-HYDROXY-GYPSOGENIN-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O20 |
| InChI | InChI=1S/C49H76O20/c1-21-28(53)30(55)32(57)40(64-21)66-36-34(59)37(39(61)63-8)67-42(35(36)60)68-38-24(52)18-45(4)26(46(38,5)20-51)11-12-48(7)27(45)10-9-22-23-17-44(2,3)13-15-49(23,16-14-47(22,48)6)43(62)69-41-33(58)31(56)29(54)25(19-50)65-41/h9,20-21,23-38,40-42,50,52-60H,10-19H2,1-8H3/t21-,23?,24-,25+,26?,27?,28-,29+,30+,31-,32+,33+,34-,35+,36-,37-,38-,40-,41-,42-,45-,46-,47+,48+,49-/m0/s1 |
| InChIKey | KMWHLEFFEQMLCK-CQTBIRQASA-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 | 985.130 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1130 |