| SpectraBase Compound ID | EJdS4mitvwD |
|---|---|
| InChI | InChI=1S/C50H77NO13S/c1-29-14-12-11-13-15-30(2)41(60-8)26-37-18-16-35(7)50(59,64-37)47(56)48(57)51-20-21-65-28-38(51)49(58)63-42(32(4)24-36-17-19-39(52)43(25-36)61-9)27-40(53)31(3)23-34(6)45(55)46(62-10)44(54)33(5)22-29/h11-15,23,29,31-33,35-39,41-43,45-46,52,55,59H,16-22,24-28H2,1-10H3/b13-11+,14-12+,30-15+,34-23+/t29-,31+,32-,33-,35-,36+,37+,38+,39-,41+,42+,43-,45-,46+,50-/m1/s1 |
| InChIKey | JSSAXVFYESHMRW-PDFPPXJUSA-N |
| Mol Weight | 932.2 g/mol |
| Molecular Formula | C50H77NO13S |
| Exact Mass | 931.511563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GJewuDjQkD |
|---|---|
| Name | 20-THIARAPAMYCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H77NO13S |
| InChI | InChI=1S/C50H77NO13S/c1-29-14-12-11-13-15-30(2)41(60-8)26-37-18-16-35(7)50(59,64-37)47(56)48(57)51-20-21-65-28-38(51)49(58)63-42(32(4)24-36-17-19-39(52)43(25-36)61-9)27-40(53)31(3)23-34(6)45(55)46(62-10)44(54)33(5)22-29/h11-15,23,29,31-33,35-39,41-43,45-46,52,55,59H,16-22,24-28H2,1-10H3/b13-11+,14-12+,30-15+,34-23+/t29-,31+,32-,33-,35-,36+,37+,38+,39-,41+,42+,43-,45-,46+,50-/m1/s1 |
| InChIKey | JSSAXVFYESHMRW-PDFPPXJUSA-N |
| Literature Reference Author | E.I.GRAZIANI,F.V.RITACCO,M.Y.SUMMERS,T.M.ZABRISKIE,K.YU,V.S. BERNAN,M.GREENSTEIN, |
| Literature Reference Citation | ORG.LETTERS,5,2385(2003) |
| Literature Reference DOI | 10.1021/ol034591k |
| Molecular Weight | 932.220 g/mol |
| Sample ID | 38323 |
| Solvent | DMSO-D6 |