| SpectraBase Compound ID | 1I4IPJBKiXg |
|---|---|
| InChI | InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21+,22-,23+,24-,25-/m0/s1 |
| InChIKey | QNAATLGQMSSVEO-KVJREUPCSA-N |
| Mol Weight | 421.7 g/mol |
| Molecular Formula | C26H47NO3 |
| Exact Mass | 421.355594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9lFd1ePDtd |
|---|---|
| Name | (2S,3S,4aR,5R,8aS,5'S)-Oct-2-enoic acid 5-(5-hydroxyoctyl)-2-methyldecahydroquinolin-3-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H47NO3 |
| InChI | InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21+,22-,23+,24-,25-/m0/s1 |
| InChIKey | QNAATLGQMSSVEO-KVJREUPCSA-N |
| Molecular Weight | 421.666 g/mol |
| SMILES | N1[C@]([C@](C[C@@]2([C@](CCCC[C@@](O)(CCC)[H])(CCC[C@]12[H])[H])[H])(OC(\C=C\CCCCC)=O)[H])(C)[H] |
| SPLASH | splash10-004i-0980000000-398675f3a8c7ccbe8520 |
| Source of Spectrum | J-73-3092-1 |
| Synonyms | (E)-2-octenoic acid [(2S,3S,4aR,5R,8aS)-5-[(5S)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] ester [(2S,3S,4aR,5R,8aS)-5-[(5S)-5-hydroxyoctyl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (E)-oct-2-enoate [(2S,3S,4aR,5R,8aS)-2-methyl-5-[(5S)-5-oxidanyloctyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] (E)-oct-2-enoate |
| Wiley ID | 1668214 |