| SpectraBase Compound ID | Hkd0l1r2kri |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 |
| InChIKey | IECPWNUMDGFDKC-MZJAQBGESA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 69WGQXglBOn |
|---|---|
| Name | Fusidic-acid;16-beta-acetyloxy-3-alpha,11-alpha-dihydroxy-29-nordammara-17(20),24-dien-21-oic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.345089260 u |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 |
| InChIKey | IECPWNUMDGFDKC-MZJAQBGESA-N |
| Molecular Weight | 516.719 g/mol |
| SMILES | [C@]1(O)(CC[C@]2([C@]([C@@]1(C)[H])(CC[C@@]1(C)[C@]2([C@](O)(C[C@@]2([C@]1(C)C[C@](OC(=O)C)(\C2=C\(C(=O)O)CCC=C(C)C)[H])[H])[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.990786 |