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[3S-(3.alpha.,4.beta.,4a.beta.,8a.alpha.)]-4-[2-(3-Furanyl)ethyl]-1,3,4,4a,5,8a-hexahydro-3,4,8,8a-tetramethyl-2,6-naphthalenedione

View entire compound with spectra: 1 MS (GC)

[3S-(3.alpha.,4.beta.,4a.beta.,8a.alpha.)]-4-[2-(3-Furanyl)ethyl]-1,3,4,4a,5,8a-hexahydro-3,4,8,8a-tetramethyl-2,6-naphthalenedione
SpectraBase Compound ID 3rLjGBqNBF0
InChI InChI=1S/C20H26O3/c1-13-9-16(21)10-18-19(3,7-5-15-6-8-23-12-15)14(2)17(22)11-20(13,18)4/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3/t14-,18-,19-,20+/m1/s1
InChIKey CGEIVVNYXVWYQO-DMSXTEQDSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sN2tuULfE
Name [3S-(3.alpha.,4.beta.,4a.beta.,8a.alpha.)]-4-[2-(3-Furanyl)ethyl]-1,3,4,4a,5,8a-hexahydro-3,4,8,8a-tetramethyl-2,6-naphthalenedione
CAS Registry Number 80594-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-13-9-16(21)10-18-19(3,7-5-15-6-8-23-12-15)14(2)17(22)11-20(13,18)4/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3/t14-,18-,19-,20+/m1/s1
InChIKey CGEIVVNYXVWYQO-DMSXTEQDSA-N
Molecular Weight 314.425 g/mol
SMILES [C@@]12([C@@]([C@@](CCc3cocc3)(C)[C@@](C(C1)=O)(C)[H])(CC(C=C2C)=O)[H])C
SPLASH splash10-001j-9620000000-a5a35bf91542ac21cc2b
Source of Spectrum J-47-1358-0
Synonyms (3S,4S,4aR,8aR)-4-[2-(3-furyl)ethyl]-3,4,8,8a-tetramethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione
Wiley ID 1315412