| SpectraBase Compound ID | EL5p5fuLOpm |
|---|---|
| InChI | InChI=1S/C39H41NO22S.2Na/c1-10-5-17-23(30(47)20(10)36(51)40-11(2)37(52)53)22-15(8-16-24(31(22)48)27(44)14-6-13(57-4)7-18(41)21(14)26(16)43)28(45)34(17)60-39-33(50)35(25(42)12(3)59-39)61-38-32(49)29(46)19(9-58-38)62-63(54,55)56;;/h5-8,11-12,19,25,28-29,32-35,38-39,41-42,45-50H,9H2,1-4H3,(H,40,51)(H,52,53)(H,54,55,56);;/q;2*+1/p-2/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+;;/m1../s1 |
| InChIKey | PJCMYMIMJNJMQX-TZXNUILNSA-L |
| Mol Weight | 951.76553856 g/mol |
| Molecular Formula | C39H39NNa2O22S |
| Exact Mass | 951.147982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9NqkaYDyLf |
|---|---|
| Name | A-SU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H39NNa2O22S |
| InChI | InChI=1S/C39H41NO22S.2Na/c1-10-5-17-23(30(47)20(10)36(51)40-11(2)37(52)53)22-15(8-16-24(31(22)48)27(44)14-6-13(57-4)7-18(41)21(14)26(16)43)28(45)34(17)60-39-33(50)35(25(42)12(3)59-39)61-38-32(49)29(46)19(9-58-38)62-63(54,55)56;;/h5-8,11-12,19,25,28-29,32-35,38-39,41-42,45-50H,9H2,1-4H3,(H,40,51)(H,52,53)(H,54,55,56);;/q;2*+1/p-2/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+;;/m1../s1 |
| InChIKey | PJCMYMIMJNJMQX-TZXNUILNSA-L |
| Literature Reference Author | S.KONDO,S.GOMI,D.IKEDA,M.HAMADA,T.TAKEUCHI,H.IWAI,J.I.SEKI,H .HOSHINO |
| Literature Reference Citation | J.ANTIBIOTICS,44,1228(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1228 |
| Molecular Weight | 951.772 g/mol |
| Sample ID | 45983 |
| Solvent | DMSO-D6 |