| SpectraBase Compound ID | Fy8eUXu9KqS |
|---|---|
| InChI | InChI=1S/C50H79NO13S/c1-30-14-12-11-13-15-31(2)42(60-8)26-38-18-16-36(7)50(58,64-38)28-45(54)51-29-65(59)21-20-39(51)49(57)63-43(33(4)24-37-17-19-40(52)44(25-37)61-9)27-41(53)32(3)23-35(6)47(56)48(62-10)46(55)34(5)22-30/h11-15,23,30,32-34,36-40,42-44,47-48,52,56,58H,16-22,24-29H2,1-10H3/b13-11+,14-12+,31-15+,35-23+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,47-,48+,50+,65?/m1/s1 |
| InChIKey | ODWGPBADOPYEAA-DCZWGQNVSA-N |
| Mol Weight | 934.2 g/mol |
| Molecular Formula | C50H79NO13S |
| Exact Mass | 933.527213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LTQtHgyopm |
|---|---|
| Name | 15-DEOXO-19-SULFOXYLRAPAMYCIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H79NO13S |
| InChI | InChI=1S/C50H79NO13S/c1-30-14-12-11-13-15-31(2)42(60-8)26-38-18-16-36(7)50(58,64-38)28-45(54)51-29-65(59)21-20-39(51)49(57)63-43(33(4)24-37-17-19-40(52)44(25-37)61-9)27-41(53)32(3)23-35(6)47(56)48(62-10)46(55)34(5)22-30/h11-15,23,30,32-34,36-40,42-44,47-48,52,56,58H,16-22,24-29H2,1-10H3/b13-11+,14-12+,31-15+,35-23+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,47-,48+,50+,65?/m1/s1 |
| InChIKey | ODWGPBADOPYEAA-DCZWGQNVSA-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 | 934.236 g/mol |
| Sample ID | 38324 |
| Solvent | DMSO-D6 |