| SpectraBase Compound ID | JK9XAev8MHO |
|---|---|
| InChI | InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 |
| InChIKey | IXFPJGBNCFXKPI-FSIHEZPISA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C34H50O12 |
| Exact Mass | 650.330227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAUvS2mb19k |
|---|---|
| Name | THAPSIGARGICIN-B |
| Compound Number | 1433B |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 |
| InChIKey | IXFPJGBNCFXKPI-FSIHEZPISA-N |
| Literature Reference | NO.AUTHOR.AVAILABLE ANNUAL REPORTS,NMR,30 |
| Solvent | Methanol |