| SpectraBase Compound ID | 5r0mY0zSsXB |
|---|---|
| InChI | InChI=1S/C38H55NO4/c1-23(25(3)35(41)39-34(36(42)43-7)27-11-9-8-10-12-27)13-14-24(2)29-17-18-31-28-15-16-30-26(4)33(40)20-22-38(30,6)32(28)19-21-37(29,31)5/h8-12,23-24,26,29-30,32-34,40H,3,13-22H2,1-2,4-7H3,(H,39,41)/t23?,24-,26+,29?,30?,32?,33+,34+,37-,38+/m1/s1 |
| InChIKey | HEDCQFTZBQSIJM-CZCKDBAYSA-N |
| Mol Weight | 589.9 g/mol |
| Molecular Formula | C38H55NO4 |
| Exact Mass | 589.413109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | wiramoAdF9 |
|---|---|
| Name | Polymastiamide E - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H55NO4 |
| InChI | InChI=1S/C38H55NO4/c1-23(25(3)35(41)39-34(36(42)43-7)27-11-9-8-10-12-27)13-14-24(2)29-17-18-31-28-15-16-30-26(4)33(40)20-22-38(30,6)32(28)19-21-37(29,31)5/h8-12,23-24,26,29-30,32-34,40H,3,13-22H2,1-2,4-7H3,(H,39,41)/t23?,24-,26+,29?,30?,32?,33+,34+,37-,38+/m1/s1 |
| InChIKey | HEDCQFTZBQSIJM-CZCKDBAYSA-N |
| Molecular Weight | 589.861 g/mol |
| SMILES | N(C(C(C(CC[C@](C1[C@@]2(C(=C3CCC4[C@@]([C@](CC[C@@]4(C3CC2)C)(O)[H])(C)[H])CC1)C)(C)[H])C)=C)=O)[C@](C(=O)OC)(c1ccccc1)[H] |
| SPLASH | splash10-066r-0930080000-f35df3b8cb72b0d55aa5 |
| Source of Spectrum | G4-59-384-11 |
| Wiley ID | 1606284 |