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1-[2'-(Fur-3'-yl)ethyl]-1,3-dimethyl-4,5-bis(acetyloxy)-4a-formyl-1,2,3,4,7,8-hexahydronaphthalene
SpectraBase Compound ID AW5u6UamICl
InChI InChI=1S/C24H32O6/c1-16-12-22(30-18(3)27)24(15-25)20(14-29-17(2)26)6-5-7-21(24)23(16,4)10-8-19-9-11-28-13-19/h6,9,11,13,15-16,21-22H,5,7-8,10,12,14H2,1-4H3/t16-,21+,22+,23-,24+/m0/s1
InChIKey SYPOGFJCDBWHEK-GAPYXRSYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mVGvXnbBfj
Name 1-[2'-(Fur-3'-yl)ethyl]-1,3-dimethyl-4,5-bis(acetyloxy)-4a-formyl-1,2,3,4,7,8-hexahydronaphthalene
Alternate Name(s) Acetic acid (4aR,5S,6S,8R,8aR)-8-acetoxy-8a-formyl-5-(2-furan-3-yl-ethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-16-12-22(30-18(3)27)24(15-25)20(14-29-17(2)26)6-5-7-21(24)23(16,4)10-8-19-9-11-28-13-19/h6,9,11,13,15-16,21-22H,5,7-8,10,12,14H2,1-4H3/t16-,21+,22+,23-,24+/m0/s1
InChIKey SYPOGFJCDBWHEK-GAPYXRSYSA-N
Molecular Weight 416.514 g/mol
SMILES [C@@]12([C@@]([C@]([C@@](C)(C[C@]2(OC(=O)C)[H])[H])(CCc2cocc2)C)(CCC=C1COC(=O)C)[H])C=O
SPLASH splash10-000x-9210000000-f295abf41c99f9960995
Source of Spectrum B-51-1100-4
Wiley ID 746063