| SpectraBase Compound ID | BxrGu1QWsyC |
|---|---|
| InChI | InChI=1S/C29H39NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-20,22-24,26-27,31,33H,7,9-10,13,17H2,1-3H3,(H,30,34)/b14-8+,16-15+/t18-,19-,20?,22-,23?,24+,26?,27-,29-/m1/s1 |
| InChIKey | RUTJOWUPQLOUEV-VZFKGASFSA-N |
| Mol Weight | 465.6 g/mol |
| Molecular Formula | C29H39NO4 |
| Exact Mass | 465.287909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4y4UIotEJVw |
|---|---|
| Name | Deoxaphomin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39NO4 |
| InChI | InChI=1S/C29H39NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-20,22-24,26-27,31,33H,7,9-10,13,17H2,1-3H3,(H,30,34)/b14-8+,16-15+/t18-,19-,20?,22-,23?,24+,26?,27-,29-/m1/s1 |
| InChIKey | RUTJOWUPQLOUEV-VZFKGASFSA-N |
| Molecular Weight | 465.634 g/mol |
| SMILES | N1[C@](C2[C@]3(C([C@@](C([C@]2(C)[H])C)(O)[H])\C=C\C[C@@](CCC[C@](\C=C\C3=O)(O)[H])(C)[H])C1=O)(Cc1ccccc1)[H] |
| SPLASH | splash10-0006-9104200000-66f34d00adad7f788b5e |
| Source of Spectrum | X2-51-570-3 |
| Wiley ID | 1602721 |