| SpectraBase Compound ID | 3dz3i26JmBr |
|---|---|
| InChI | InChI=1S/C41H72O14/c1-12-21(2)13-22(3)14-27(8)38(55-41-37(50)36(49)39(52-11)32(19-43)54-41)28(9)16-25(6)33(46)23(4)15-24(5)34(47)26(7)17-29(10)40(51)53-20-31(45)35(48)30(44)18-42/h14-17,21-23,26,28,30-39,41-50H,12-13,18-20H2,1-11H3/b24-15+,25-16+,27-14+,29-17+/t21-,22-,23-,26-,28-,30+,31+,32+,33-,34+,35+,36+,37-,38-,39+,41-/m1/s1 |
| InChIKey | OBPQMRUXOXZBPH-AYTAKXNTSA-N |
| Mol Weight | 789.0 g/mol |
| Molecular Formula | C41H72O14 |
| Exact Mass | 788.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aFYH1UT4YT |
|---|---|
| Name | TMC-154 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H72O14 |
| InChI | InChI=1S/C41H72O14/c1-12-21(2)13-22(3)14-27(8)38(55-41-37(50)36(49)39(52-11)32(19-43)54-41)28(9)16-25(6)33(46)23(4)15-24(5)34(47)26(7)17-29(10)40(51)53-20-31(45)35(48)30(44)18-42/h14-17,21-23,26,28,30-39,41-50H,12-13,18-20H2,1-11H3/b24-15+,25-16+,27-14+,29-17+/t21-,22-,23-,26-,28-,30+,31+,32+,33-,34+,35+,36+,37-,38-,39+,41-/m1/s1 |
| InChIKey | OBPQMRUXOXZBPH-AYTAKXNTSA-N |
| Literature Reference Author | J.KOHNO,Y.ASAI,M.NISHIO,M.SAKURAI,K.KAWANO,H.HIRAMATSU,N.KAM EDA,N.KISHI,T.OKUDA, |
| Literature Reference Citation | J.ANTIBIOTICS,52,1114(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.1114 |
| Molecular Weight | 789.014 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU1097 |