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4,4a,5,6,7,7a.alpha.,8,9-Octahydro-5.beta.-hydroxy-4a.beta.,8.alpha.-dimethylazuleno[6,5-b]furan-3-carboxylic Acid Methyl Ester
SpectraBase Compound ID GPHs1EX1vCr
InChI InChI=1S/C16H22O4/c1-9-6-13-10(11(8-20-13)15(18)19-3)7-16(2)12(9)4-5-14(16)17/h8-9,12,14,17H,4-7H2,1-3H3/t9-,12+,14+,16+/m0/s1
InChIKey GQJSLVQSJKYMPC-ZXAISWHRSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHregpI6F7W
Name 4,4a,5,6,7,7a.alpha.,8,9-Octahydro-5.beta.-hydroxy-4a.beta.,8.alpha.-dimethylazuleno[6,5-b]furan-3-carboxylic Acid Methyl Ester
CAS Registry Number 99783-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-9-6-13-10(11(8-20-13)15(18)19-3)7-16(2)12(9)4-5-14(16)17/h8-9,12,14,17H,4-7H2,1-3H3/t9-,12+,14+,16+/m0/s1
InChIKey GQJSLVQSJKYMPC-ZXAISWHRSA-N
Molecular Weight 278.348 g/mol
SMILES O[C@]1([C@@]2(Cc3c(coc3C[C@](C)([C@]2(CC1)[H])[H])C(=O)OC)C)[H]
SPLASH splash10-004i-0090000000-77f83e2d1db96e4d00c2
Source of Spectrum C-108-1063-27
Synonyms Methyl (4aR,5R,7aR,8S)-5-hydroxy-4a,8-dimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[6,5-b]furan-3-carboxylate
Wiley ID 1282056