| SpectraBase Compound ID | 5JePnAHiLkA |
|---|---|
| InChI | InChI=1S/C29H38O6/c1-7-18(2)26(31)35-24-13-14-28(5)22(27(24,3)4)12-15-29(6,32)23(28)17-33-20-10-8-19-9-11-25(30)34-21(19)16-20/h7-11,16,22-24,32H,12-15,17H2,1-6H3/b18-7-/t22-,23+,24-,28-,29?/m1/s1 |
| InChIKey | UFPQYBAJCMMCRR-GGGBWHKASA-N |
| Mol Weight | 482.6 g/mol |
| Molecular Formula | C29H38O6 |
| Exact Mass | 482.266839 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GqV7IYAeidP |
|---|---|
| Name | Isomarcandin angelate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O6 |
| InChI | InChI=1S/C29H38O6/c1-7-18(2)26(31)35-24-13-14-28(5)22(27(24,3)4)12-15-29(6,32)23(28)17-33-20-10-8-19-9-11-25(30)34-21(19)16-20/h7-11,16,22-24,32H,12-15,17H2,1-6H3/b18-7-/t22-,23+,24-,28-,29?/m1/s1 |
| InChIKey | UFPQYBAJCMMCRR-GGGBWHKASA-N |
| Molecular Weight | 482.617 g/mol |
| SMILES | OC1([C@]([C@]2([C@@](C(C)(C)[C@@](CC2)(OC(\C(=C/C)C)=O)[H])(CC1)[H])C)(COc1cc2OC(=O)C=Cc2cc1)[H])C |
| SPLASH | splash10-03yi-5559400000-80c7ee4a48f4c0b5e859 |
| Source of Spectrum | X2-48-327-1 |
| Wiley ID | 1601650 |