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bis[(8R,12R)-8,12-Epoxy-labd-13E-ene-15-yl]mercury

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bis[(8R,12R)-8,12-Epoxy-labd-13E-ene-15-yl]mercury
SpectraBase Compound ID 2poBH7S8uEH
InChI InChI=1S/2C20H33O.Hg/c2*1-7-14(2)15-13-17-19(5)11-8-10-18(3,4)16(19)9-12-20(17,6)21-15;/h2*7,15-17H,1,8-13H2,2-6H3;/b2*14-7+;/t2*15-,16+,17-,19+,20-;/m11./s1
InChIKey SXXTZPXUNPQVHH-WZYIJVAISA-N
Mol Weight 779.6 g/mol
Molecular Formula C40H66HgO2
Exact Mass 780.476925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMCx8ww747a
Name bis[(8R,12R)-8,12-Epoxy-labd-13E-ene-15-yl]mercury
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 780.476925363 u
Formula C40H66HgO2
InChI InChI=1S/2C20H33O.Hg/c2*1-7-14(2)15-13-17-19(5)11-8-10-18(3,4)16(19)9-12-20(17,6)21-15;/h2*7,15-17H,1,8-13H2,2-6H3;/b2*14-7+;/t2*15-,16+,17-,19+,20-;/m11./s1
InChIKey SXXTZPXUNPQVHH-WZYIJVAISA-N
Molecular Weight 779.558 g/mol
SMILES [C@@]12([C@@]3([C@@](O[C@](C3)(\C(=C\C[Hg]C\C=C\([C@@]3(O[C@@]4(CC[C@@]5([C@@]([C@]4(C3)[H])(CCCC5(C)C)C)[H])C)[H])C)C)[H])(C)CC[C@]2(C(C)(C)CCC1)[H])[H])C