![(+)-(3R,4S,5R)-4-(Octanoyloxy)-3-hydroxy-1,7-dioxaspiro[4.4]nonan-8-one (Secosyrin 2)](/api/spectrum/HF9yB9Jf39Y/structure.png?h=300&w=458 "(+)-(3R,4S,5R)-4-(Octanoyloxy)-3-hydroxy-1,7-dioxaspiro[4.4]nonan-8-one (Secosyrin 2)")
| SpectraBase Compound ID | BXoWpc9h04d |
|---|---|
| InChI | InChI=1S/C15H24O6/c1-2-3-4-5-6-7-12(17)21-14-11(16)9-20-15(14)8-13(18)19-10-15/h11,14,16H,2-10H2,1H3/t11-,14+,15-/m1/s1 |
| InChIKey | HICRIPRTFAOBSR-BYCMXARLSA-N |
| Mol Weight | 300.35 g/mol |
| Molecular Formula | C15H24O6 |
| Exact Mass | 300.157288 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HF9yB9Jf39Y |
|---|---|
| Name | (+)-(3R,4S,5R)-4-(Octanoyloxy)-3-hydroxy-1,7-dioxaspiro[4.4]nonan-8-one (Secosyrin 2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24O6 |
| InChI | InChI=1S/C15H24O6/c1-2-3-4-5-6-7-12(17)21-14-11(16)9-20-15(14)8-13(18)19-10-15/h11,14,16H,2-10H2,1H3/t11-,14+,15-/m1/s1 |
| InChIKey | HICRIPRTFAOBSR-BYCMXARLSA-N |
| Molecular Weight | 300.351 g/mol |
| SMILES | O[C@]1([C@@]([C@]2(CC(=O)OC2)OC1)(OC(=O)CCCCCCC)[H])[H] |
| SPLASH | splash10-056r-8911000000-b895a69140de525002ed |
| Source of Spectrum | J-62-8103-4 |
| Synonyms | (3R,4S,5R)-3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]non-4-yl octanoate caprylic acid[(5R,6S,7R)-7-hydroxy-2-keto-3,9-dioxaspiro[4.4]nonan-6-yl]ester Octanoic acid[(5R,6S,7R)-7-hydroxy-2-oxo-3,9-dioxaspiro[4.4]nonan-6-yl]ester [(5R,6S,7R)-7-hydroxy-2-oxo-3,9-dioxaspiro[4.4]nonan-6-yl]octanoate [(5R,6S,7R)-7-oxidanyl-2-oxidanylidene-3,9-dioxaspiro[4.4]nonan-6-yl]octanoate Octanoic acid [(3R,4S,5R)-3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl] ester [(3R,4S,5R)-3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl] octanoate [(3R,4S,5R)-3-oxidanyl-8-oxidanylidene-1,7-dioxaspiro[4.4]nonan-4-yl] octanoate |
| Wiley ID | 1302650 |