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(1S,2R,3S,5S,6S,7R)-4.beta.-D-3-(Oct-2-ynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-diol
SpectraBase Compound ID 1vsUxgjrAeR
InChI InChI=1S/C18H26O2/c1-2-3-4-5-6-7-10-18(20)12-15(19)16-13-8-9-14(11-13)17(16)18/h8-9,13-17,19-20H,2-5,10-12H2,1H3/t13-,14+,15-,16+,17+,18-/m0/s1/i12D/t12-,13+,14-,15+,16-,17-,18+/m1
InChIKey XOBNMZODFVYFRY-XNIHTSNNSA-N
Mol Weight 275.41 g/mol
Molecular Formula C18H25DO2
Exact Mass 275.199557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nIUUCyCkca
Name (1S,2R,3S,5S,6S,7R)-4.beta.-D-3-(Oct-2-ynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-diol
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Formula C18H25DO2
InChI InChI=1S/C18H26O2/c1-2-3-4-5-6-7-10-18(20)12-15(19)16-13-8-9-14(11-13)17(16)18/h8-9,13-17,19-20H,2-5,10-12H2,1H3/t13-,14+,15-,16+,17+,18-/m0/s1/i12D/t12-,13+,14-,15+,16-,17-,18+/m1
InChIKey XOBNMZODFVYFRY-XNIHTSNNSA-N
Molecular Weight 275.410 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]([C@@]1([D])[H])(CC#CCCCCC)O)([C@@]1(C=C[C@]2(C1)[H])[H])[H])[H])[H]
SPLASH splash10-0gb9-4900000000-3185ed854c045de78bba
Source of Spectrum KC-1993-2158-8
Synonyms 4.beta.-D-3-(Oct-2-ynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-diol
Wiley ID 779583