SpectraBase Compound ID | 2vc0oAmSsk |
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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 |
SpectraBase Spectrum ID | 31SeZgDgNx9 |
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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 | C-100-3434-0 |
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 | 1401434 |