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2.beta.,19:8.alpha.,13-diepoxy-20-iodolabdane
SpectraBase Compound ID 5pRK1VYkj58
InChI InChI=1S/C20H33IO2/c1-5-18(3)8-6-16-19(4,23-18)9-7-15-17(2)10-14(22-13-17)11-20(15,16)12-21/h14-16H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-/m1/s1
InChIKey NGKIFRUJAYDQIA-VVNNMEHBSA-N
Mol Weight 432.4 g/mol
Molecular Formula C20H33IO2
Exact Mass 432.152525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54W3tOMSiyY
Name 2.beta.,19:8.alpha.,13-diepoxy-20-iodolabdane
Alternate Name(s) (2R,5R,7S,10R,11S)-7-ethyl-5-(iodomethyl)-1,7,11-trimethyl-6,14-dioxatetracyclo[11.2.1.0(2,11).0(5,10)]hexadecane 2b,19:8a,13-diepoxy-20-iodolabdane
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Formula C20H33IO2
InChI InChI=1S/C20H33IO2/c1-5-18(3)8-6-16-19(4,23-18)9-7-15-17(2)10-14(22-13-17)11-20(15,16)12-21/h14-16H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-/m1/s1
InChIKey NGKIFRUJAYDQIA-VVNNMEHBSA-N
Molecular Weight 432.386 g/mol
SMILES [C@]12([C@@]3([C@@](O[C@](CC3)(CC)C)(C)CC[C@]1([C@]1(CO[C@](C1)(C2)[H])C)[H])[H])CI
SPLASH splash10-056r-0094000000-259a3b07d14ff06d9692
Source of Spectrum B-44-487-0
Wiley ID 1382156