| SpectraBase Compound ID | JbpRufTeveU |
|---|---|
| InChI | InChI=1S/C37H42O3/c1-39-36-15-5-3-4-6-16(15)37(40-2)34-18-8-7-17(33(34)36)29-25-13-26(30(18)29)22-12-24-23(11-21(22)25)27-14-28(24)32-20-10-9-19(31(27)32)35(20)38/h3-6,17-32H,7-14H2,1-2H3/t17-,18+,19+,20-,21+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32- |
| InChIKey | OMYXCPWFDFOFPA-WYJXGBLQSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C37H42O3 |
| Exact Mass | 534.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dn5wPedeb8F |
|---|---|
| Name | 9,14-Dimethoxy-1,4:5,18:6,17-trimethano-8,15-ethylenetricontanehydroheptacene-1'-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H42O3 |
| InChI | InChI=1S/C37H42O3/c1-39-36-15-5-3-4-6-16(15)37(40-2)34-18-8-7-17(33(34)36)29-25-13-26(30(18)29)22-12-24-23(11-21(22)25)27-14-28(24)32-20-10-9-19(31(27)32)35(20)38/h3-6,17-32H,7-14H2,1-2H3/t17-,18+,19+,20-,21+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32- |
| InChIKey | OMYXCPWFDFOFPA-WYJXGBLQSA-N |
| Molecular Weight | 534.740 g/mol |
| SMILES | c12c([C@]3([C@]4([C@@]([C@@]2(CC3)[H])([C@@]2([C@]3([C@](C[C@]5([C@]6([C@@]7([C@@]8(CC[C@]([C@@]7([C@@]([C@]5(C3)[H])(C6)[H])[H])(C8=O)[H])[H])[H])[H])[H])([C@]4(C2)[H])[H])[H])[H])[H])[H])[H])c(OC)c2c(c1OC)cccc2 |
| SPLASH | splash10-0006-9010000000-de9caa0b3ebc9b5feddf |
| Source of Spectrum | HE-1999-400-22 |
| Wiley ID | 1613479 |