| SpectraBase Compound ID | hmmLHBUSRT |
|---|---|
| InChI | InChI=1S/C59H92N2O14/c1-14-46(52(64)38(6)22-18-19-26-44-31-45(70-11)33-59(72-13,75-44)30-29-36(4)21-20-25-43-34-73-41(9)58(10,69)54(43)65)47(62)28-27-37(5)48(63)32-49(71-12)39(7)55(66)60-50(35(2)3)56(67)61-51-40(8)53(74-57(51)68)42-23-16-15-17-24-42/h15-27,35,38-41,43-54,62-65,69H,14,28-34H2,1-13H3,(H,60,66)(H,61,67)/b22-18+,25-20+,26-19+,36-21+,37-27+ |
| InChIKey | OTPHGOIPHMPUPP-IUECHDAESA-N |
| Mol Weight | 1053.4 g/mol |
| Molecular Formula | C59H92N2O14 |
| Exact Mass | 1052.654856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gN6Fu1HqSu |
|---|---|
| Name | CYMBIMICIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H92N2O14 |
| InChI | InChI=1S/C59H92N2O14/c1-14-46(52(64)38(6)22-18-19-26-44-31-45(70-11)33-59(72-13,75-44)30-29-36(4)21-20-25-43-34-73-41(9)58(10,69)54(43)65)47(62)28-27-37(5)48(63)32-49(71-12)39(7)55(66)60-50(35(2)3)56(67)61-51-40(8)53(74-57(51)68)42-23-16-15-17-24-42/h15-27,35,38-41,43-54,62-65,69H,14,28-34H2,1-13H3,(H,60,66)(H,61,67)/b22-18+,25-20+,26-19+,36-21+,37-27+ |
| InChIKey | OTPHGOIPHMPUPP-IUECHDAESA-N |
| Literature Reference Author | T.FEHR,V.F.J.QUESNIAUX,J.J.SANGLIER,L.OBERER,L.GSCHWIND,M.PO NELLE,W.SCHILLING,S. |
| Literature Reference Citation | J.ANTIBIOTICS,50,893(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.893 |
| Molecular Weight | 1053.384 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWGE6146 |