| SpectraBase Compound ID | 5aQOQr4EnIS |
|---|---|
| InChI | InChI=1S/C37H53NO4/c1-23(11-10-12-24(2)34(40)38-33(35(41)42-6)26-13-8-7-9-14-26)28-17-18-30-27-15-16-29-25(3)32(39)20-22-37(29,5)31(27)19-21-36(28,30)4/h7-9,12-14,23,25,28-29,31-33,39H,10-11,15-22H2,1-6H3,(H,38,40)/b24-12+/t23-,25+,28?,29?,31?,32+,33+,36-,37+/m1/s1 |
| InChIKey | YKJIQZDZUVPXET-ROGDEINVSA-N |
| Mol Weight | 575.8 g/mol |
| Molecular Formula | C37H53NO4 |
| Exact Mass | 575.397459 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IFM2aLl2Fbq |
|---|---|
| Name | Polymastiamide F - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H53NO4 |
| InChI | InChI=1S/C37H53NO4/c1-23(11-10-12-24(2)34(40)38-33(35(41)42-6)26-13-8-7-9-14-26)28-17-18-30-27-15-16-29-25(3)32(39)20-22-37(29,5)31(27)19-21-36(28,30)4/h7-9,12-14,23,25,28-29,31-33,39H,10-11,15-22H2,1-6H3,(H,38,40)/b24-12+/t23-,25+,28?,29?,31?,32+,33+,36-,37+/m1/s1 |
| InChIKey | YKJIQZDZUVPXET-ROGDEINVSA-N |
| Molecular Weight | 575.834 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)=O)[C@](C(=O)OC)(c1ccccc1)[H] |
| SPLASH | splash10-099v-0462090000-99147500e1fe7077b3a4 |
| Source of Spectrum | G4-59-384-12 |
| Wiley ID | 1606283 |