| SpectraBase Compound ID | 2vc0oAmSsk |
|---|---|
| InChI | InChI=1S/C29H40O6S/c1-22(2)20-29(28(31)35-7,36(32,33)26-17-9-8-10-18-26)21-25(5)16-12-14-23(3)13-11-15-24(4)19-27(30)34-6/h8-10,13,16-20H,11-12,14-15,21H2,1-7H3/b23-13+,24-19+,25-16+ |
| InChIKey | IKGMUTZNRPGNHF-ISJGFOTJSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C29H40O6S |
| Exact Mass | 516.25456 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Sn8iC3PLV2 |
|---|---|
| Name | Dimethyl (2E,6E,10E)-3,7,11-trimethyl-13-(2-methyl-1-propenyl)-13-(phenylsulfonyl)-2,6,10-tetradecatrienedioate |
| CAS Registry Number | 57683-69-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H40O6S |
| InChI | InChI=1S/C29H40O6S/c1-22(2)20-29(28(31)35-7,36(32,33)26-17-9-8-10-18-26)21-25(5)16-12-14-23(3)13-11-15-24(4)19-27(30)34-6/h8-10,13,16-20H,11-12,14-15,21H2,1-7H3/b23-13+,24-19+,25-16+ |
| InChIKey | IKGMUTZNRPGNHF-ISJGFOTJSA-N |
| Molecular Weight | 516.693 g/mol |
| SMILES | COC(=O)\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC(C=C(C)C)(C(=O)OC)S(=O)(=O)c1ccccc1 |
| SPLASH | splash10-0aec-6901000000-c067f008e157e460cdaa |
| Source of Spectrum | W5-36940-28596-28596 |
| Synonyms | 2,6,10-Tetradecatrienedioic acid, 3,7,11-trimethyl-13-(2-methyl-1-propenyl)-13-(phenylsulfonyl)-, dimethyl ester, (E,E,E)- (2E,6E,10E)-13-(benzenesulfonyl)-3,7,11-trimethyl-13-(2-methylprop-1-enyl)tetradeca-2,6,10-trienedioic acid dimethyl ester (2E,6E,10E)-13-besyl-3,7,11-trimethyl-13-(2-methylprop-1-enyl)tetradeca-2,6,10-trienedioic acid dimethyl ester Dimethyl (2E,6E,10E)-13-(benzenesulfonyl)-3,7,11-trimethyl-13-(2-methylprop-1-enyl)tetradeca-2,6,10-trienedioate Dimethyl (2E,6E,10E)-3,7,11-trimethyl-13-(2-methylprop-1-enyl)-13-(phenylsulfonyl)tetradeca-2,6,10-trienedioate |
| Wiley ID | 1401435 |