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contrunculin-B
SpectraBase Compound ID 2OCvLCVlAdR
InChI InChI=1S/C16H24O2/c1-9-5-6-12-11-7-10(2)15(3)8-13(14(9)11)17-18-16(12,15)4/h5,10-14H,6-8H2,1-4H3/t10-,11+,12+,13?,14-,15-,16+/m1/s1
InChIKey OMLRDKBURRKDJF-ZEWWSLQFSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCdGu2MxS5E
Name contrunculin-B
Alternate Name(s) (1S,4S,5S,9S,10R,12R,13R)-4,8,12,13-tetramethyl-2,3-dioxatetracyclo[7.5.0.0(4,13).0(5,10)]tetradec-7-ene
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Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-9-5-6-12-11-7-10(2)15(3)8-13(14(9)11)17-18-16(12,15)4/h5,10-14H,6-8H2,1-4H3/t10-,11+,12+,13?,14-,15-,16+/m1/s1
InChIKey OMLRDKBURRKDJF-ZEWWSLQFSA-N
Molecular Weight 248.366 g/mol
SMILES [C@]12([C@@]3(CC(OO2)[C@]2([C@]([C@@]1(CC=C2C)[H])(C[C@]3(C)[H])[H])[H])C)C
SPLASH splash10-053r-3910000000-62c17db0106177036575
Source of Spectrum B-46-1363-0
Wiley ID 1251666