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1,4-Naphthalenedione, 8-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2-methoxy-4a-methyl-, (4a.alpha.,8.beta.,8a.beta.)-
SpectraBase Compound ID CabVbAIGKNB
InChI InChI=1S/C15H18O5/c1-9(16)20-8-10-5-4-6-15(2)12(17)7-11(19-3)14(18)13(10)15/h4-5,7,10,13H,6,8H2,1-3H3/t10-,13+,15+/m0/s1
InChIKey RPLRMYUMNXWZRH-PSOPSSQASA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VoFwSZ0yni
Name 1,4-Naphthalenedione, 8-[(acetyloxy)methyl]-4a,5,8,8a-tetrahydro-2-methoxy-4a-methyl-, (4a.alpha.,8.beta.,8a.beta.)-
CAS Registry Number 63780-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-9(16)20-8-10-5-4-6-15(2)12(17)7-11(19-3)14(18)13(10)15/h4-5,7,10,13H,6,8H2,1-3H3/t10-,13+,15+/m0/s1
InChIKey RPLRMYUMNXWZRH-PSOPSSQASA-N
Molecular Weight 278.304 g/mol
SMILES [C@@]12(C(C=C(C([C@]2([C@](COC(=O)C)(C=CC1)[H])[H])=O)OC)=O)C
SPLASH splash10-014i-0090000000-2a8da536e567394cafb6
Source of Spectrum K-110-2044-0
Synonyms 8.alpha.-acetoxymethyl-4a,5,8,8a.alpha.-tetrahydro-2-methoxy-4a.beta.-methyl-11,4-naphthalindione [(1R,4aS,8aS)-7-methoxy-4a-methyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-1-naphthalenyl]methyl acetate
Wiley ID 1281863