![trans-2-[3-(Methoxycarbonyl)-1-hydroxypropyl]-3-[(E)-3-(benzyloxy)-1-octenyl]cyclopentanone](/api/spectrum/Bur7L3GzCAJ/structure.png?h=300&w=458 "trans-2-[3-(Methoxycarbonyl)-1-hydroxypropyl]-3-[(E)-3-(benzyloxy)-1-octenyl]cyclopentanone")
| SpectraBase Compound ID | F7ON8OspLf1 |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-3-4-6-11-21(30-18-19-9-7-5-8-10-19)14-12-20-13-15-22(26)25(20)23(27)16-17-24(28)29-2/h5,7-10,12,14,20-21,23,25,27H,3-4,6,11,13,15-18H2,1-2H3/b14-12+/t20-,21?,23?,25+/m0/s1 |
| InChIKey | ACYSDGKHNGDPEG-KKLBWQEUSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bur7L3GzCAJ |
|---|---|
| Name | trans-2-[3-(Methoxycarbonyl)-1-hydroxypropyl]-3-[(E)-3-(benzyloxy)-1-octenyl]cyclopentanone |
| Alternate Name(s) | Methyl 4-{(1S,2R)-2-[(1E)-3-(benzyloxy)-1-octenyl]-5-oxocyclopentyl}-4-hydroxybutanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-3-4-6-11-21(30-18-19-9-7-5-8-10-19)14-12-20-13-15-22(26)25(20)23(27)16-17-24(28)29-2/h5,7-10,12,14,20-21,23,25,27H,3-4,6,11,13,15-18H2,1-2H3/b14-12+/t20-,21?,23?,25+/m0/s1 |
| InChIKey | ACYSDGKHNGDPEG-KKLBWQEUSA-N |
| Molecular Weight | 416.558 g/mol |
| SMILES | OC([C@]1(C(CC[C@@]1(\C=C\C(OCc1ccccc1)CCCCC)[H])=O)[H])CCC(=O)OC |
| SPLASH | splash10-0006-2392000000-e2ce80eedaa93b60948e |
| Source of Spectrum | C-116-11699-4 |
| Wiley ID | 1376503 |