| SpectraBase Compound ID | LQhCzgHWwVM |
|---|---|
| InChI | InChI=1S/C46H65N5O9/c1-7-8-9-10-11-12-16-19-39(54)48-36(26-32-17-14-13-15-18-32)38(53)28-41(56)50-42(30(2)3)44(57)47-34-22-25-40(55)49-43(31(4)5)45(58)51(6)37(46(59)60-29-34)27-33-20-23-35(52)24-21-33/h12-18,20-25,30-31,34,36-38,42-43,52-53H,7-11,19,26-29H2,1-6H3,(H,47,57)(H,48,54)(H,49,55)(H,50,56)/b16-12-,25-22+/t34-,36+,37+,38+,42+,43+/m1/s1 |
| InChIKey | VGTTZFFUYDDVHW-RJAVDCFHSA-N |
| Mol Weight | 832.1 g/mol |
| Molecular Formula | C46H65N5O9 |
| Exact Mass | 831.478229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BEdk1tVqHt7 |
|---|---|
| Name | THALASSOSPIRAMIDE-D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H65N5O9 |
| InChI | InChI=1S/C46H65N5O9/c1-7-8-9-10-11-12-16-19-39(54)48-36(26-32-17-14-13-15-18-32)38(53)28-41(56)50-42(30(2)3)44(57)47-34-22-25-40(55)49-43(31(4)5)45(58)51(6)37(46(59)60-29-34)27-33-20-23-35(52)24-21-33/h12-18,20-25,30-31,34,36-38,42-43,52-53H,7-11,19,26-29H2,1-6H3,(H,47,57)(H,48,54)(H,49,55)(H,50,56)/b16-12-,25-22+/t34-,36+,37+,38+,42+,43+/m1/s1 |
| InChIKey | VGTTZFFUYDDVHW-RJAVDCFHSA-N |
| Literature Reference Author | S.UM,Y.PYEE,E.H.KIM,S.K.LEE,J.SHIN,D.C.OH |
| Literature Reference Citation | MAR.DRUGS,11,611(2013) |
| Literature Reference DOI | 10.3390/md11030611 |
| Molecular Weight | 832.050 g/mol |
| Source File Reference | UWLU74769 |