![TRAGOPOGONSAPONIN-C;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ESTER](/api/spectrum/AJrCD1dkw4O/structure.png?h=300&w=458 "TRAGOPOGONSAPONIN-C;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | ENo9ZQoxJFX |
|---|---|
| InChI | InChI=1S/C52H74O17/c1-47(2)20-21-52(46(62)69-45-42(37(57)30(54)25-65-45)67-36(56)15-11-26-10-13-29(53)31(22-26)63-8)28(23-47)27-12-14-33-49(5)18-17-35(66-44-40(60)38(58)39(59)41(68-44)43(61)64-9)48(3,4)32(49)16-19-50(33,6)51(27,7)24-34(52)55/h10-13,15,22,28,30,32-35,37-42,44-45,53-55,57-60H,14,16-21,23-25H2,1-9H3/b15-11+/t28?,30-,32?,33?,34-,35+,37+,38+,39+,40-,41+,42-,44-,45+,49+,50-,51-,52-/m1/s1 |
| InChIKey | WDKLINBVFQBVOD-GVVLRJLOSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C52H74O17 |
| Exact Mass | 970.492601 g/mol |
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| SpectraBase Spectrum ID | AJrCD1dkw4O |
|---|---|
| Name | TRAGOPOGONSAPONIN-C;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[(2-FERULOYLOXY)-XYLOPYRANOSYL]-ESTER |
| Compound Number | 165 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H74O17 |
| InChI | InChI=1S/C52H74O17/c1-47(2)20-21-52(46(62)69-45-42(37(57)30(54)25-65-45)67-36(56)15-11-26-10-13-29(53)31(22-26)63-8)28(23-47)27-12-14-33-49(5)18-17-35(66-44-40(60)38(58)39(59)41(68-44)43(61)64-9)48(3,4)32(49)16-19-50(33,6)51(27,7)24-34(52)55/h10-13,15,22,28,30,32-35,37-42,44-45,53-55,57-60H,14,16-21,23-25H2,1-9H3/b15-11+/t28?,30-,32?,33?,34-,35+,37+,38+,39+,40-,41+,42-,44-,45+,49+,50-,51-,52-/m1/s1 |
| InChIKey | WDKLINBVFQBVOD-GVVLRJLOSA-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 | 971.149 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1061 |