![(2'E,6'E,10'E)-3-[1'-13C]Geranylgeranyl-4,5-dihydroxybenzoic acid](/api/spectrum/LwAc9cxp6ae/structure.png?h=300&w=458 "(2'E,6'E,10'E)-3-[1'-13C]Geranylgeranyl-4,5-dihydroxybenzoic acid")
| SpectraBase Compound ID | 5WgHUGIpNUe |
|---|---|
| InChI | InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+/i16+1 |
| InChIKey | BSKXNBAQBKFMLO-MMEMDWSXSA-N |
| Mol Weight | 427.6 g/mol |
| Molecular Formula | C2613CH38O4 |
| Exact Mass | 427.280365 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LwAc9cxp6ae |
|---|---|
| Name | (2'E,6'E,10'E)-3-[1'-13C]Geranylgeranyl-4,5-dihydroxybenzoic acid |
| Comments | Original formula: C26[13C]H38O4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O4 |
| InChI | InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+/i16+1 |
| InChIKey | BSKXNBAQBKFMLO-MMEMDWSXSA-N |
| Molecular Weight | 427.589 g/mol |
| SMILES | Oc1c(c(cc(c1)C(=O)O)[13CH2]\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)O |
| SPLASH | splash10-014i-6940000000-6319ed1ed41c422b8b00 |
| Source of Spectrum | C5-2005-1026-20 |
| Wiley ID | 1618274 |