| SpectraBase Compound ID | ANpm9GZ9Eb2 |
|---|---|
| InChI | InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29-30,33,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,20-14+/t18-,21+,23-,26?,29-,30+,32+/m0/s1 |
| InChIKey | TYTBBVIHCPHNMB-SNHGTILQSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H38N2O4 |
| Exact Mass | 514.283158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FN3v8eDpKG1 |
|---|---|
| Name | Phenochalasin G |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.283157708 u |
| Formula | C32H38N2O4 |
| InChI | InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29-30,33,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,20-14+/t18-,21+,23-,26?,29-,30+,32+/m0/s1 |
| InChIKey | TYTBBVIHCPHNMB-SNHGTILQSA-N |
| Molecular Weight | 514.666 g/mol |
| SMILES | [C@@]123C(NC([C@@]3([C@](C)(C(=C[C@@]1(\C=C\C[C@@](\C=C\([C@](C(CCC2=O)=O)(O)[H])C)(C)[H])[H])C)[H])[H])CC1=CNC=2C1=CC=CC2)=O |