| SpectraBase Compound ID | vBJornfUPO |
|---|---|
| InChI | InChI=1S/C37H53NO5/c1-23(8-7-9-24(2)34(40)38-33(35(41)43-6)25-10-13-28(42-5)14-11-25)30-16-17-31-29-15-12-26-22-27(39)18-20-36(26,3)32(29)19-21-37(30,31)4/h9-11,13-14,23,26-27,30,32-33,39H,7-8,12,15-22H2,1-6H3,(H,38,40)/b24-9+/t23-,26?,27+,30?,32?,33+,36+,37-/m1/s1 |
| InChIKey | IEGCCWYBNFNGKN-LKYVHHIQSA-N |
| Mol Weight | 591.8 g/mol |
| Molecular Formula | C37H53NO5 |
| Exact Mass | 591.392374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gi8BhFcPZl6 |
|---|---|
| Name | Polymastiamide D - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H53NO5 |
| InChI | InChI=1S/C37H53NO5/c1-23(8-7-9-24(2)34(40)38-33(35(41)43-6)25-10-13-28(42-5)14-11-25)30-16-17-31-29-15-12-26-22-27(39)18-20-36(26,3)32(29)19-21-37(30,31)4/h9-11,13-14,23,26-27,30,32-33,39H,7-8,12,15-22H2,1-6H3,(H,38,40)/b24-9+/t23-,26?,27+,30?,32?,33+,36+,37-/m1/s1 |
| InChIKey | IEGCCWYBNFNGKN-LKYVHHIQSA-N |
| Molecular Weight | 591.833 g/mol |
| SMILES | N(C(\C(=C\CC[C@](C1[C@@]2(C(=C3CCC4C[C@](CC[C@@]4(C3CC2)C)(O)[H])CC1)C)(C)[H])C)=O)[C@](C(=O)OC)(c1ccc(cc1)OC)[H] |
| SPLASH | splash10-002f-0900010000-382d6081654430e21cfe |
| Source of Spectrum | G4-59-384-10 |
| Wiley ID | 1606285 |