| SpectraBase Compound ID | 9ZPLmES6BWR |
|---|---|
| InChI | InChI=1S/C50H86O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-40-35(55)31(24-51)65-50(69-41-37(57)34(54)28(7)62-48(41)64-30)43(40)71-49-44(68-46(60)26(5)11-3)42(39(29(8)63-49)67-45(59)25(4)10-2)70-47-38(58)36(56)33(53)27(6)61-47/h25-31,33-44,47-51,53-58H,9-24H2,1-8H3/t25?,26?,27-,28-,29-,30-,31+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,47-,48+,49-,50-/m0/s1 |
| InChIKey | DWBKNMQALHFQLC-PWOPTZTCSA-N |
| Mol Weight | 1023.2 g/mol |
| Molecular Formula | C50H86O21 |
| Exact Mass | 1022.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iMlYL4qdoU |
|---|---|
| Name | TRICOLORIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86O21 |
| InChI | InChI=1S/C50H86O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-40-35(55)31(24-51)65-50(69-41-37(57)34(54)28(7)62-48(41)64-30)43(40)71-49-44(68-46(60)26(5)11-3)42(39(29(8)63-49)67-45(59)25(4)10-2)70-47-38(58)36(56)33(53)27(6)61-47/h25-31,33-44,47-51,53-58H,9-24H2,1-8H3/t25?,26?,27-,28-,29-,30-,31+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,47-,48+,49-,50-/m0/s1 |
| InChIKey | DWBKNMQALHFQLC-PWOPTZTCSA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,R.MATA,A.L.ANAYA,D.B.M.WICKRAMARATNE,J.M.PE ZZUTO,A.D.KINGHORN |
| Literature Reference Citation | J.NAT.PROD.,56,571(1993) |
| Literature Reference DOI | 10.1021/np50094a018 |
| Molecular Weight | 1023.220 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWTS1230 |