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16-Methoxy-15-methoxymethoxy-8,9-seco-fusicocca-1,9-diene-3.alpha.,8-diol
SpectraBase Compound ID GNrANO9y8aG
InChI InChI=1S/C23H40O5/c1-16(13-24)18-8-11-23(25,14-26-6)20(18)12-22(5)10-9-19(17(22)2)21(3,4)28-15-27-7/h12,16,18-19,24-25H,2,8-11,13-15H2,1,3-7H3/b20-12+/t16-,18+,19+,22-,23+/m1/s1
InChIKey UEPBNUYYBLMLLG-BUVXWTRGSA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H40O5
Exact Mass 396.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdipBurjTfN
Name 16-Methoxy-15-methoxymethoxy-8,9-seco-fusicocca-1,9-diene-3.alpha.,8-diol
Comments Less than 3 mono-isotopic peaks
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Formula C23H40O5
InChI InChI=1S/C23H40O5/c1-16(13-24)18-8-11-23(25,14-26-6)20(18)12-22(5)10-9-19(17(22)2)21(3,4)28-15-27-7/h12,16,18-19,24-25H,2,8-11,13-15H2,1,3-7H3/b20-12+/t16-,18+,19+,22-,23+/m1/s1
InChIKey UEPBNUYYBLMLLG-BUVXWTRGSA-N
Molecular Weight 396.568 g/mol
SMILES O[C@]1(\C([C@]([C@@](CO)(C)[H])(CC1)[H])=C/[C@@]1(C([C@](C(OCOC)(C)C)([H])CC1)=C)C)COC
SPLASH splash10-0udr-0940000000-bf50d59d6f5b64b04b36
Source of Spectrum AJ-71-1176-16
Synonyms (1R,2E,3S)-3-[(1S)-2-hydroxy-1-methylethyl]-2-({(1R,3S)-3-[1-(methoxymethoxy)-1-methylethyl]-1-methyl-2-methylenecyclopentyl}methylene)-1-(methoxymethyl)cyclopentanol
Wiley ID 774283