![TRAGOPOGONSAPONIN-I;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXYPHENYL)-PROPIONYLOXY]-A](/api/spectrum/GNsGDMccE7w/structure.png?h=300&w=458 "TRAGOPOGONSAPONIN-I;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXYPHENYL)-PROPIONYLOXY]-A")
| SpectraBase Compound ID | 3ltrxP7xaAL |
|---|---|
| InChI | InChI=1S/C57H84O21/c1-52(2)21-22-57(51(70)78-50-46(75-37(62)16-11-27-9-12-28(59)13-10-27)44(31(60)26-72-50)76-48-42(67)39(64)38(63)32(25-58)73-48)30(23-52)29-14-15-34-54(5)19-18-36(74-49-43(68)40(65)41(66)45(77-49)47(69)71-8)53(3,4)33(54)17-20-55(34,6)56(29,7)24-35(57)61/h9-10,12-14,30-36,38-46,48-50,58-61,63-68H,11,15-26H2,1-8H3/t30?,31-,32+,33?,34?,35+,36-,38+,39-,40-,41-,42+,43+,44-,45-,46+,48-,49+,50-,54-,55+,56+,57+/m0/s1 |
| InChIKey | STTSZYQOWNIMAD-ZVBYCFLFSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C57H84O21 |
| Exact Mass | 1104.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNsGDMccE7w |
|---|---|
| Name | TRAGOPOGONSAPONIN-I;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXYPHENYL)-PROPIONYLOXY]-A |
| Compound Number | 171 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H84O21 |
| InChI | InChI=1S/C57H84O21/c1-52(2)21-22-57(51(70)78-50-46(75-37(62)16-11-27-9-12-28(59)13-10-27)44(31(60)26-72-50)76-48-42(67)39(64)38(63)32(25-58)73-48)30(23-52)29-14-15-34-54(5)19-18-36(74-49-43(68)40(65)41(66)45(77-49)47(69)71-8)53(3,4)33(54)17-20-55(34,6)56(29,7)24-35(57)61/h9-10,12-14,30-36,38-46,48-50,58-61,63-68H,11,15-26H2,1-8H3/t30?,31-,32+,33?,34?,35+,36-,38+,39-,40-,41-,42+,43+,44-,45-,46+,48-,49+,50-,54-,55+,56+,57+/m0/s1 |
| InChIKey | STTSZYQOWNIMAD-ZVBYCFLFSA-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 | 1105.281 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1067 |