| SpectraBase Compound ID | An1AhpUZPLv |
|---|---|
| InChI | InChI=1S/C45H65NO10S2/c1-8-9-10-11-13-16-34(4)29-38-30-35(5)17-14-12-15-18-42(55-57(49,50)39-24-19-32(2)20-25-39)41(54-45(46)48)28-23-36(6)31-43(37(7)44(47)53-38)56-58(51,52)40-26-21-33(3)22-27-40/h12-14,16,19-22,24-27,29,35-38,41-43H,8-11,15,17-18,23,28,30-31H2,1-7H3,(H2,46,48)/b14-12+,16-13+,34-29+/t35-,36+,37-,38-,41+,42+,43-/m1/s1 |
| InChIKey | HWZONAPYAIGQQZ-PFOAOIIYSA-N |
| Mol Weight | 844.1 g/mol |
| Molecular Formula | C45H65NO10S2 |
| Exact Mass | 843.40499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUlq7uowTTe |
|---|---|
| Name | HWZONAPYAIGQQZ-PFOAOIIYSA-N |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H65NO10S2 |
| InChI | InChI=1S/C45H65NO10S2/c1-8-9-10-11-13-16-34(4)29-38-30-35(5)17-14-12-15-18-42(55-57(49,50)39-24-19-32(2)20-25-39)41(54-45(46)48)28-23-36(6)31-43(37(7)44(47)53-38)56-58(51,52)40-26-21-33(3)22-27-40/h12-14,16,19-22,24-27,29,35-38,41-43H,8-11,15,17-18,23,28,30-31H2,1-7H3,(H2,46,48)/b14-12+,16-13+,34-29+/t35-,36+,37-,38-,41+,42+,43-/m1/s1 |
| InChIKey | HWZONAPYAIGQQZ-PFOAOIIYSA-N |
| Literature Reference Author | L.G.ZAR,A.BISHARA,M.AKNIN,D.NEUMANN,N.BEN-CALIFA,Y.KASHMAN |
| Literature Reference Citation | MAR.DRUGS,11,4487(2013) |
| Literature Reference DOI | 10.3390/md11114487 |
| Molecular Weight | 844.132 g/mol |
| Source File Reference | UWBT6625 |