![methyl (Z)-2-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]but-2-enoate](/api/spectrum/3EPxtCtOHQ/structure.png?h=300&w=458 "methyl (Z)-2-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]but-2-enoate")
| SpectraBase Compound ID | AGTPHZ7JlS9 |
|---|---|
| InChI | InChI=1S/C22H36O5/c1-6-16(21(25)26-5)17-13-18(23)22(4)12-8-10-14(2)9-7-11-15(3)19(24)20(17)27-22/h6,10,15,17-20,23-24H,7-9,11-13H2,1-5H3/b14-10+,16-6-/t15-,17-,18+,19-,20+,22-/m0/s1 |
| InChIKey | HVDDJYYYOFNCAY-KQFWUBRMSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H36O5 |
| Exact Mass | 380.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3EPxtCtOHQ |
|---|---|
| Name | 4,14-Eupalmeroic acid methyl ester |
| Alternate Name(s) | (Z)-2-[(1R,2S,3S,7E,11S,12R,14S)-2,12-dihydroxy-3,7,11-trimethyl-15-oxabicyclo[9.3.1]pentadec-7-en-14-yl]-2-butenoic acid methyl ester Methyl (Z)-2-[(1R,2S,3S,7E,11S,12R,14S)-2,12-dihydroxy-3,7,11-trimethyl-15-oxabicyclo[9.3.1]pentadec-7-en-14-yl]but-2-enoate Methyl (Z)-2-[(1R,2S,3S,7E,11S,12R,14S)-3,7,11-trimethyl-2,12-bis(oxidanyl)-15-oxabicyclo[9.3.1]pentadec-7-en-14-yl]but-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O5 |
| InChI | InChI=1S/C22H36O5/c1-6-16(21(25)26-5)17-13-18(23)22(4)12-8-10-14(2)9-7-11-15(3)19(24)20(17)27-22/h6,10,15,17-20,23-24H,7-9,11-13H2,1-5H3/b14-10+,16-6-/t15-,17-,18+,19-,20+,22-/m0/s1 |
| InChIKey | HVDDJYYYOFNCAY-KQFWUBRMSA-N |
| Molecular Weight | 380.525 g/mol |
| SMILES | O[C@@]1([C@@]2(O[C@]([C@@](C[C@]2(\C(C(=O)OC)=C\C)[H])(O)[H])(CC\C=C\(CCC[C@@]1(C)[H])C)C)[H])[H] |
| SPLASH | splash10-0bu1-6219000000-a330a7086bb1fca794d5 |
| Source of Spectrum | J-66-657-32 |
| Wiley ID | 1534312 |