| SpectraBase Compound ID | DOQlDESTvcj |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(23(27)21-26)29-25(28)22-18-15-14-16-19-22/h14-20,23-24,26-27H,2-13,21H2,1H3/b20-17+/t23-,24-/m1/s1 |
| InChIKey | WNVDHUBGRVOEQA-QIOSQNANSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FVUu42evuIR |
|---|---|
| Name | (2R,3R,4E)-3-O-Benzoyloctadec-4-ene-1,2,3-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(23(27)21-26)29-25(28)22-18-15-14-16-19-22/h14-20,23-24,26-27H,2-13,21H2,1H3/b20-17+/t23-,24-/m1/s1 |
| InChIKey | WNVDHUBGRVOEQA-QIOSQNANSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | O[C@](CO)([C@](OC(=O)c1ccccc1)(\C=C\CCCCCCCCCCCCC)[H])[H] |
| SPLASH | splash10-0k9f-0693000000-56dc5b1a2afef59037b0 |
| Source of Spectrum | SO-0-35-8 |
| Synonyms | (1R,2E)-1-[(1R)-1,2-dihydroxyethyl]-2-hexadecenyl benzoate benzoic acid[(E,1R)-1-[(1R)-1,2-dihydroxyethyl]hexadec-2-enyl]ester benzoic acid[(E,2R,3R)-1,2-dihydroxyoctadec-4-en-3-yl]ester [(E,1R)-1-[(1R)-1,2-dihydroxyethyl]hexadec-2-enyl]benzoate [(E,2R,3R)-1,2-bis(oxidanyl)octadec-4-en-3-yl]benzoate [(E,2R,3R)-1,2-dihydroxyoctadec-4-en-3-yl]benzoate benzoic acid [(E,2R,3R)-1,2-dihydroxyoctadec-4-en-3-yl] ester [(E,2R,3R)-1,2-dihydroxyoctadec-4-en-3-yl] benzoate [(E,1R)-1-[(1R)-1,2-dihydroxyethyl]hexadec-2-enyl] benzoate [(E,2R,3R)-1,2-bis(oxidanyl)octadec-4-en-3-yl] benzoate |
| Wiley ID | 875239 |