![TRAGOPOGONSAPONIN-J;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXY-3-METHOXY)-PHENYL]-PRO](/api/spectrum/GTCHjiQHvIy/structure.png?h=300&w=458 "TRAGOPOGONSAPONIN-J;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXY-3-METHOXY)-PHENYL]-PRO")
| SpectraBase Compound ID | IQh9TlYz6N3 |
|---|---|
| InChI | InChI=1S/C58H86O22/c1-53(2)20-21-58(52(71)80-51-47(77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)45(31(61)26-74-51)78-49-43(68)40(65)39(64)33(25-59)75-49)29(23-53)28-12-14-35-55(5)18-17-37(76-50-44(69)41(66)42(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62/h10,12-13,22,29,31,33-37,39-47,49-51,59-62,64-69H,11,14-21,23-26H2,1-9H3/t29?,31-,33+,34?,35?,36+,37-,39+,40-,41-,42-,43+,44+,45-,46-,47+,49-,50+,51-,55-,56+,57+,58+/m0/s1 |
| InChIKey | LRAMMUUZPBDTIW-WWQOJDINSA-N |
| Mol Weight | 1135.3 g/mol |
| Molecular Formula | C58H86O22 |
| Exact Mass | 1134.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTCHjiQHvIy |
|---|---|
| Name | TRAGOPOGONSAPONIN-J;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXY-3-METHOXY)-PHENYL]-PRO |
| Compound Number | 172 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H86O22 |
| InChI | InChI=1S/C58H86O22/c1-53(2)20-21-58(52(71)80-51-47(77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)45(31(61)26-74-51)78-49-43(68)40(65)39(64)33(25-59)75-49)29(23-53)28-12-14-35-55(5)18-17-37(76-50-44(69)41(66)42(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62/h10,12-13,22,29,31,33-37,39-47,49-51,59-62,64-69H,11,14-21,23-26H2,1-9H3/t29?,31-,33+,34?,35?,36+,37-,39+,40-,41-,42-,43+,44+,45-,46-,47+,49-,50+,51-,55-,56+,57+,58+/m0/s1 |
| InChIKey | LRAMMUUZPBDTIW-WWQOJDINSA-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 | 1135.308 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1068 |