![2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-.alpha.-2-penten-4-ynyl-, acetate, [2R-[2.alpha.[R*(E)],7.beta.,8.alpha.]]-](/api/spectrum/6ner3V6TyvF/structure.png?h=300&w=458 "2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-.alpha.-2-penten-4-ynyl-, acetate, [2R-[2.alpha.[R*(E)],7.beta.,8.alpha.]]-")
| SpectraBase Compound ID | 9S9V01n1UaC |
|---|---|
| InChI | InChI=1S/C17H23BrO3/c1-4-6-7-11-16(20-13(3)19)17-12-9-8-10-14(18)15(5-2)21-17/h1,6-9,14-17H,5,10-12H2,2-3H3/b7-6+,9-8- |
| InChIKey | ZFYWONYUPVGTQJ-MUIOLIGRSA-N |
| Mol Weight | 355.27 g/mol |
| Molecular Formula | C17H23BrO3 |
| Exact Mass | 354.083058 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ner3V6TyvF |
|---|---|
| Name | 2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-.alpha.-2-penten-4-ynyl-, acetate, [2R-[2.alpha.[R*(E)],7.beta.,8.alpha.]]- |
| CAS Registry Number | 3442-58-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H23BrO3 |
| InChI | InChI=1S/C17H23BrO3/c1-4-6-7-11-16(20-13(3)19)17-12-9-8-10-14(18)15(5-2)21-17/h1,6-9,14-17H,5,10-12H2,2-3H3/b7-6+,9-8- |
| InChIKey | ZFYWONYUPVGTQJ-MUIOLIGRSA-N |
| Molecular Weight | 355.272 g/mol |
| SMILES | C(C\C=C\C#C)(OC(C)=O)C1OC(CC)C(Br)C\C=C/C1 |
| SPLASH | splash10-00kf-9610000000-c0953fc551e014752837 |
| Source of Spectrum | T-68-3861-0 |
| Synonyms | (3E)-1-(7-Bromo-8-ethyl-3,6,7,8-tetrahydro-2H-oxocin-2-yl)-3-hexen-5-ynyl acetate 2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-.alpha.-2-penten-4-ynyl-, acetate, (E)-(.alpha.R,2R,7S,8R)- 2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-.alpha.-2-penten-4-ynyl-, acetate, (E)-(alphaR,2R,7S,8R)- Laurencin [(E)-1-[(5Z)-3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]hex-3-en-5-ynyl] acetate [(E)-1-[(5Z)-3-bromanyl-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]hex-3-en-5-ynyl] ethanoate NSC 122763 |
| Wiley ID | 52423 |