![ASTER-SAPONIN-HB;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER](/api/spectrum/IF6IqHp7T1e/structure.png?h=300&w=458 "ASTER-SAPONIN-HB;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 4FJdItVothQ |
|---|---|
| InChI | InChI=1S/C48H76O18/c1-21-29(51)31(53)34(56)39(62-21)65-37-30(52)24(49)20-61-41(37)66-42(59)48-17-16-43(2,3)18-23(48)22-10-11-26-45(6)14-13-28(63-40-35(57)32(54)33(55)36(64-40)38(58)60-9)44(4,5)25(45)12-15-46(26,7)47(22,8)19-27(48)50/h10,21,23-37,39-41,49-57H,11-20H2,1-9H3/t21-,23?,24-,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35+,36-,37+,39-,40+,41-,45-,46+,47+,48+/m0/s1 |
| InChIKey | DDDYPDPMIDMAEV-UMTUPAAFSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C48H76O18 |
| Exact Mass | 940.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IF6IqHp7T1e |
|---|---|
| Name | ASTER-SAPONIN-HB;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ESTER |
| Compound Number | 49 |
| 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(51)31(53)34(56)39(62-21)65-37-30(52)24(49)20-61-41(37)66-42(59)48-17-16-43(2,3)18-23(48)22-10-11-26-45(6)14-13-28(63-40-35(57)32(54)33(55)36(64-40)38(58)60-9)44(4,5)25(45)12-15-46(26,7)47(22,8)19-27(48)50/h10,21,23-37,39-41,49-57H,11-20H2,1-9H3/t21-,23?,24-,25?,26?,27+,28-,29-,30-,31+,32-,33-,34+,35+,36-,37+,39-,40+,41-,45-,46+,47+,48+/m0/s1 |
| InChIKey | DDDYPDPMIDMAEV-UMTUPAAFSA-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 | 941.121 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1055 |