| SpectraBase Compound ID | Eml5MaccRM5 |
|---|---|
| InChI | InChI=1S/C28H38O8/c1-18-14-21-15-26(34-17-20-10-12-22(32-3)13-11-20)36-27(21)28(33-4)24(30)16-25(31)35-19(2)8-6-5-7-9-23(18)29/h5-7,9-13,18-19,21,24,26-28,30H,8,14-17H2,1-4H3/b6-5+,9-7+/t18-,19-,21-,24-,26-,27+,28+/m1/s1 |
| InChIKey | SGOFYDZOQGWBRM-HCFQEDGASA-N |
| Mol Weight | 502.6 g/mol |
| Molecular Formula | C28H38O8 |
| Exact Mass | 502.256668 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6XHZSLKU2WJ |
|---|---|
| Name | .beta.-Niddanolide 4-Methoxybenzylacetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O8 |
| InChI | InChI=1S/C28H38O8/c1-18-14-21-15-26(34-17-20-10-12-22(32-3)13-11-20)36-27(21)28(33-4)24(30)16-25(31)35-19(2)8-6-5-7-9-23(18)29/h5-7,9-13,18-19,21,24,26-28,30H,8,14-17H2,1-4H3/b6-5+,9-7+/t18-,19-,21-,24-,26-,27+,28+/m1/s1 |
| InChIKey | SGOFYDZOQGWBRM-HCFQEDGASA-N |
| Molecular Weight | 502.604 g/mol |
| SMILES | O[C@@]1(CC(O[C@@](C\C=C\C=C\C([C@@](C[C@]2([C@@]([C@]1(OC)[H])(O[C@](OCc1ccc(cc1)OC)([H])C2)[H])[H])(C)[H])=O)(C)[H])=O)[H] |
| SPLASH | splash10-00di-0910000000-c50256b3e8248d4390c8 |
| Source of Spectrum | E1-39-72-33 |
| Wiley ID | 1518623 |