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(+)-3.beta.-(1H-Imidazole-1-carbonothioyloxy)albicanyl Acetate
SpectraBase Compound ID I7xKBry6bC3
InChI InChI=1S/C21H30N2O3S/c1-14-6-7-17-20(3,4)18(26-19(27)23-11-10-22-13-23)8-9-21(17,5)16(14)12-25-15(2)24/h10-11,13,16-18H,1,6-9,12H2,2-5H3/t16-,17-,18-,21+/m0/s1
InChIKey URHHRIFMIUPDNU-RYLXDESZSA-N
Mol Weight 390.54 g/mol
Molecular Formula C21H30N2O3S
Exact Mass 390.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMrrR0kDqdM
Name (+)-3.beta.-(1H-Imidazole-1-carbonothioyloxy)albicanyl Acetate
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Formula C21H30N2O3S
InChI InChI=1S/C21H30N2O3S/c1-14-6-7-17-20(3,4)18(26-19(27)23-11-10-22-13-23)8-9-21(17,5)16(14)12-25-15(2)24/h10-11,13,16-18H,1,6-9,12H2,2-5H3/t16-,17-,18-,21+/m0/s1
InChIKey URHHRIFMIUPDNU-RYLXDESZSA-N
Molecular Weight 390.542 g/mol
SMILES [C@]12([C@](C([C@@](OC([n]3cncc3)=S)(CC1)[H])(C)C)(CCC([C@@]2(COC(=O)C)[H])=C)[H])C
SPLASH splash10-0ldj-4930000000-70693b7c9d1f47117918
Source of Spectrum U1-2014-6979-14
Synonyms ((1S,4aR,6S,8aS)-6-((1H-imidazole-1-carbonothioyl)oxy)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)methyl acetate
Wiley ID 1740995