![TRIPTONINE-B;1-BETA,2-BETA,5-ALPHA,8-BETA-TETRA-ACETOXY-3-ALPHA,15-[2'-HYDROXY-2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPANOIC-ACID]-DI-CARBOL](/api/spectrum/1wSZZTHuZAm/structure.png?h=300&w=458 "TRIPTONINE-B;1-BETA,2-BETA,5-ALPHA,8-BETA-TETRA-ACETOXY-3-ALPHA,15-[2'-HYDROXY-2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPANOIC-ACID]-DI-CARBOL")
| SpectraBase Compound ID | u7Vx0Fu6BI |
|---|---|
| InChI | InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1 |
| InChIKey | GSBZVVMZYQMZBG-XMOOUNKUSA-N |
| Mol Weight | 961.9 g/mol |
| Molecular Formula | C45H55NO22 |
| Exact Mass | 961.321572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wSZZTHuZAm |
|---|---|
| Name | TRIPTONINE-B;1-BETA,2-BETA,5-ALPHA,8-BETA-TETRA-ACETOXY-3-ALPHA,15-[2'-HYDROXY-2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPANOIC-ACID]-DI-CARBOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H55NO22 |
| InChI | InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1 |
| InChIKey | GSBZVVMZYQMZBG-XMOOUNKUSA-N |
| Literature Reference Author | H.DUAN,Y.TAKAISHI,Y.IMAKURA,Y.JIA,D.LI,L.M.COSENTINO,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,63,357(2000) |
| Literature Reference DOI | 10.1021/np990281s |
| Molecular Weight | 961.925 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU1819 |