| SpectraBase Compound ID | Jag3aj1eztF |
|---|---|
| InChI | InChI=1S/C25H40O5/c1-17(14-23(28)29-16-20(15-26)30-19(3)27)8-10-21-18(2)9-11-22-24(4,5)12-7-13-25(21,22)6/h14,20-22,26H,2,7-13,15-16H2,1,3-6H3/b17-14+/t20-,21?,22?,25+/m0/s1 |
| InChIKey | WMDGTDMOZOXRDZ-RUXJXVFDSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C25H40O5 |
| Exact Mass | 420.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | d7uuCXYKMC |
|---|---|
| Name | 1-Copaloyl-2-acetyl-sn-glycerol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O5 |
| InChI | InChI=1S/C25H40O5/c1-17(14-23(28)29-16-20(15-26)30-19(3)27)8-10-21-18(2)9-11-22-24(4,5)12-7-13-25(21,22)6/h14,20-22,26H,2,7-13,15-16H2,1,3-6H3/b17-14+/t20-,21?,22?,25+/m0/s1 |
| InChIKey | WMDGTDMOZOXRDZ-RUXJXVFDSA-N |
| Molecular Weight | 420.590 g/mol |
| SMILES | OC[C@](OC(=O)C)(COC(\C=C\(CCC1[C@@]2(C(C(CCC2)(C)C)CCC1=C)C)C)=O)[H] |
| SPLASH | splash10-0api-7612900000-98fb974e1f7b10f83311 |
| Source of Spectrum | AT-38-4148-6 |
| Wiley ID | 853913 |