| SpectraBase Compound ID | 1YLcD0sk29V |
|---|---|
| InChI | InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 |
| InChIKey | VQOXZBDYSJBXMA-NQTDYLQESA-N |
| Mol Weight | 926.1 g/mol |
| Molecular Formula | C47H75NO17 |
| Exact Mass | 925.5035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYUWtVhCBPV |
|---|---|
| Name | Nystatin in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 925.503499942 u |
| Formula | C47H75NO17 |
| InChI | InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 |
| InChIKey | VQOXZBDYSJBXMA-NQTDYLQESA-N |
| Molecular Weight | 926.107 g/mol |
| SMILES | O[C@@]1([C@](\C=C\C=C\CC\C=C\C=C\C=C\C=C\[C@](O[C@]2([C@]([C@]([C@@]([C@](O2)(C)[H])(O)[H])(N)[H])(O)[H])[H])(C[C@]2([C@@]([C@](C[C@@](C[C@]([C@@](CC[C@](C[C@](C[C@](CC(O[C@]([C@@]1(C)[H])(C)[H])=O)(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])(O2)O)(O)[H])(C(O)=O)[H])[H])[H])(C)[H])[H] |