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8.alpha.,13-epoxy-20-iodolabdan-2.beta.-ol
SpectraBase Compound ID 1ZMajPLhTjd
InChI InChI=1S/C20H35IO2/c1-6-18(4)9-7-16-19(5,23-18)10-8-15-17(2,3)11-14(22)12-20(15,16)13-21/h14-16,22H,6-13H2,1-5H3/t14-,15+,16+,18+,19-,20-/m1/s1
InChIKey CIXPHEXLUUSMGY-ZHAUUAPESA-N
Mol Weight 434.4 g/mol
Molecular Formula C20H35IO2
Exact Mass 434.168175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R78eHst6IV
Name 8.alpha.,13-epoxy-20-iodolabdan-2.beta.-ol
Alternate Name(s) (3S,4aR,6aS,9R,10aS,10bR)-3-ethyl-4a-(iodomethyl)-3,7,7,10a-tetramethyldodecahydro-1H-benzo[f]chromen-9-ol 8a,13-epoxy-20-iodolabdan-2b-ol
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Formula C20H35IO2
InChI InChI=1S/C20H35IO2/c1-6-18(4)9-7-16-19(5,23-18)10-8-15-17(2,3)11-14(22)12-20(15,16)13-21/h14-16,22H,6-13H2,1-5H3/t14-,15+,16+,18+,19-,20-/m1/s1
InChIKey CIXPHEXLUUSMGY-ZHAUUAPESA-N
Molecular Weight 434.402 g/mol
SMILES O[C@@]1(CC([C@]2([C@@]([C@@]3([C@@](O[C@](CC3)(CC)C)(C)CC2)[H])(C1)CI)[H])(C)C)[H]
SPLASH splash10-0a4r-0059200000-b0443041f3ec064a54b7
Source of Spectrum B-44-487-0
Wiley ID 1382864