| SpectraBase Compound ID | 2iq97bNgROP |
|---|---|
| InChI | InChI=1S/C50H74O4/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)33-34-48-37-49(53-46(10)51)35-36-50(48)54-47(11)52/h19,21,23,25,27,29,31,33,35-37H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-33+ |
| InChIKey | LLCMPXDJSHHYLQ-VVRZRELVSA-N |
| Mol Weight | 739.1 g/mol |
| Molecular Formula | C50H74O4 |
| Exact Mass | 738.558711 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | spTfQeb0SE |
|---|---|
| Name | Sarcohydroquinone - C Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H74O4 |
| InChI | InChI=1S/C50H74O4/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)33-34-48-37-49(53-46(10)51)35-36-50(48)54-47(11)52/h19,21,23,25,27,29,31,33,35-37H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-33+ |
| InChIKey | LLCMPXDJSHHYLQ-VVRZRELVSA-N |
| Molecular Weight | 739.138 g/mol |
| SMILES | c1(c(cc(OC(=O)C)cc1)C\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C)OC(=O)C |
| SPLASH | splash10-0udu-0962101000-b7848f5a5d3590c3b4cc |
| Source of Spectrum | X2-55-1259-6 |
| Wiley ID | 1604600 |