| SpectraBase Compound ID | DPZJBynqnEa |
|---|---|
| InChI | InChI=1S/C36H36O3/c37-34-16-7-8-17(34)27-21-10-20(26(16)27)30-22-11-23(31(21)30)29-19-9-18(28(22)29)24-14-5-6-15(25(19)24)33-32(14)35(38)12-3-1-2-4-13(12)36(33)39/h1-6,14-33H,7-11H2/t14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33- |
| InChIKey | RVBPJTZVKLPHNM-XYPYRHIYSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C36H36O3 |
| Exact Mass | 516.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EPjtu7EH2qt |
|---|---|
| Name | 1,4:5,16:6,15:7,14:7,12-Pentaamethanohexacosanehydrohexacene-1',8,13-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H36O3 |
| InChI | InChI=1S/C36H36O3/c37-34-16-7-8-17(34)27-21-10-20(26(16)27)30-22-11-23(31(21)30)29-19-9-18(28(22)29)24-14-5-6-15(25(19)24)33-32(14)35(38)12-3-1-2-4-13(12)36(33)39/h1-6,14-33H,7-11H2/t14-,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33- |
| InChIKey | RVBPJTZVKLPHNM-XYPYRHIYSA-N |
| Molecular Weight | 516.681 g/mol |
| SMILES | [C@@]12([C@@](C(=O)c3c(C2=O)cccc3)([C@]2([C@]3([C@@]([C@@]1(C=C2)[H])([C@@]1([C@]2([C@]([C@]4([C@@]5([C@]6([C@@]7([C@@]8(CC[C@]([C@@]7([C@@]([C@@]5([C@@]2(C4)[H])[H])(C6)[H])[H])(C8=O)[H])[H])[H])[H])[H])[H])([C@]3(C1)[H])[H])[H])[H])[H])[H])[H])[H])[H] |
| SPLASH | splash10-07bf-9330000000-933e4acbc8ca9543b1aa |
| Source of Spectrum | HE-1999-400-20 |
| Wiley ID | 1613480 |