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8.alpha.-Acetoxy-16-methoxyfusicocca-1,10(14)diene-3.alpha.,15-diol
SpectraBase Compound ID xPbTDGhuLC
InChI InChI=1S/C23H36O5/c1-14-16-7-10-23(26,13-27-6)19(16)12-22(5)9-8-17(21(3,4)25)18(22)11-20(14)28-15(2)24/h12,14,16,20,25-26H,7-11,13H2,1-6H3/b19-12+/t14-,16+,20-,22-,23+/m1/s1
InChIKey QNXRRSQRQXUQAJ-CYLKBLHZSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KJvszd75YQ
Name 8.alpha.-Acetoxy-16-methoxyfusicocca-1,10(14)diene-3.alpha.,15-diol
Comments Less than 3 mono-isotopic peaks
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Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-14-16-7-10-23(26,13-27-6)19(16)12-22(5)9-8-17(21(3,4)25)18(22)11-20(14)28-15(2)24/h12,14,16,20,25-26H,7-11,13H2,1-6H3/b19-12+/t14-,16+,20-,22-,23+/m1/s1
InChIKey QNXRRSQRQXUQAJ-CYLKBLHZSA-N
Molecular Weight 392.536 g/mol
SMILES O[C@]1(\C2=C\[C@@]3(C(=C(C(O)(C)C)CC3)C[C@]([C@@]([C@@]2(CC1)[H])(C)[H])(OC(=O)C)[H])C)COC
SPLASH splash10-00di-0090000000-0ca7385b27eec45faa4a
Source of Spectrum AJ-71-1178-27
Synonyms (1R,3aS,4R,5R,9aR)-1-hydroxy-7-(1-hydroxy-1-methylethyl)-1-(methoxymethyl)-4,9a-dimethyl-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d]cycloocten-5-yl acetate
Wiley ID 774276