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(2a1S,4aR,5R,6R,6aS)-6,6a-dibromo-5-((Z)-but-1-en-3-yn-1-yl)-6-ethyloctahydro-1,3-dioxa-2,4-methanocyclopenta[cd]pentalene

View entire compound with spectra: 1 MS (GC)

(2a1S,4aR,5R,6R,6aS)-6,6a-dibromo-5-((Z)-but-1-en-3-yn-1-yl)-6-ethyloctahydro-1,3-dioxa-2,4-methanocyclopenta[cd]pentalene
SpectraBase Compound ID EAyWAGqRKqW
InChI InChI=1S/C15H16Br2O2/c1-3-5-6-8-11-9-7-10-13(18-9)12(11)15(17,19-10)14(8,16)4-2/h1,5-6,8-13H,4,7H2,2H3/b6-5-/t8-,9-,10-,11+,12+,13+,14-,15-/m1/s1
InChIKey XAQWUXTZRKVJKC-ONTHXMEGSA-N
Mol Weight 388.1 g/mol
Molecular Formula C15H16Br2O2
Exact Mass 385.951706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bfXqJFSEq
Name (2a1S,4aR,5R,6R,6aS)-6,6a-dibromo-5-((Z)-but-1-en-3-yn-1-yl)-6-ethyloctahydro-1,3-dioxa-2,4-methanocyclopenta[cd]pentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16Br2O2
InChI InChI=1S/C15H16Br2O2/c1-3-5-6-8-11-9-7-10-13(18-9)12(11)15(17,19-10)14(8,16)4-2/h1,5-6,8-13H,4,7H2,2H3/b6-5-/t8-,9-,10-,11+,12+,13+,14-,15-/m1/s1
InChIKey XAQWUXTZRKVJKC-ONTHXMEGSA-N
Molecular Weight 388.099 g/mol
SMILES [C@@]1([C@@]2([C@@]3([C@@]([C@@]1(Br)CC)(Br)O[C@]1([C@@]3(O[C@@]2(C1)[H])[H])[H])[H])[H])(\C=C/C#C)[H]
SPLASH splash10-0a4i-3159000000-ab1286f6ec183bd15f96
Source of Spectrum Charles Santhanaraju Vairappan, et al. Phytochemistry, V. 58, 2001, P.291-297
Synonyms Lembyne-B (2aR,2a1S,3R,4R,4aS)-4,4a-dibromo-3-((Z)-but-1-en-3-yn-1-yl)-4-ethyloctahydro-1,5-dioxa-2,6-methanocyclopenta[cd]pentalene
Wiley ID 1817404