| SpectraBase Compound ID | GV9v8dhJEKL |
|---|---|
| InChI | InChI=1S/C50H88O23/c1-9-11-17-20-30(21-18-15-13-12-14-16-19-22-32(53)54)67-48-42(35(57)33(55)27(6)64-48)73-50-43(36(58)34(56)31(23-51)68-50)72-49-44(70-45(62)24(3)10-2)39(61)41(29(8)66-49)71-47-38(60)37(59)40(28(7)65-47)69-46(63)25(4)26(5)52/h24-31,33-44,47-52,55-61H,9-23H2,1-8H3,(H,53,54)/t24?,25?,26?,27-,28-,29+,30+,31-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,47+,48+,49+,50+/m1/s1 |
| InChIKey | INEYXFPANCJADM-FTMOELIISA-N |
| Mol Weight | 1057.2 g/mol |
| Molecular Formula | C50H88O23 |
| Exact Mass | 1056.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OYBlgh6Vim |
|---|---|
| Name | TYRIANTHINIC_ACID_I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H88O23 |
| InChI | InChI=1S/C50H88O23/c1-9-11-17-20-30(21-18-15-13-12-14-16-19-22-32(53)54)67-48-42(35(57)33(55)27(6)64-48)73-50-43(36(58)34(56)31(23-51)68-50)72-49-44(70-45(62)24(3)10-2)39(61)41(29(8)66-49)71-47-38(60)37(59)40(28(7)65-47)69-46(63)25(4)26(5)52/h24-31,33-44,47-52,55-61H,9-23H2,1-8H3,(H,53,54)/t24?,25?,26?,27-,28-,29+,30+,31-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,47+,48+,49+,50+/m1/s1 |
| InChIKey | INEYXFPANCJADM-FTMOELIISA-N |
| Literature Reference Author | I.LEON-RIVERA,G.MIRON-LOPEZ,G.M.MOLINA-SALINAS,M.HERRERA-RUI Z,S.ESTRADA-SOTO,M.D |
| Literature Reference Citation | J.NAT.PROD.,71,1686(2008) |
| Literature Reference DOI | 10.1021/np800266a |
| Molecular Weight | 1057.235 g/mol |
| Sample ID | 29118 |
| Solvent | CD3OD |