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2,6-Naphthalenedione, 1,7,8,8a-tetrahydro-1,7-dihydroxy-5,8a-dimethyl-3-(1-methylethyl)-, (1.alpha.,7.alpha.,8a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2,6-Naphthalenedione, 1,7,8,8a-tetrahydro-1,7-dihydroxy-5,8a-dimethyl-3-(1-methylethyl)-, (1.alpha.,7.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID BF8IYlnlcUp
InChI InChI=1S/C15H20O4/c1-7(2)9-5-10-8(3)12(17)11(16)6-15(10,4)14(19)13(9)18/h5,7,11,14,16,19H,6H2,1-4H3/t11-,14-,15+/m1/s1
InChIKey SNFGYZCGCKJSLK-DFBGVHRSSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZ2ePo0g3lz
Name 2,6-Naphthalenedione, 1,7,8,8a-tetrahydro-1,7-dihydroxy-5,8a-dimethyl-3-(1-methylethyl)-, (1.alpha.,7.alpha.,8a.beta.)-(.+-.)-
CAS Registry Number 79492-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-7(2)9-5-10-8(3)12(17)11(16)6-15(10,4)14(19)13(9)18/h5,7,11,14,16,19H,6H2,1-4H3/t11-,14-,15+/m1/s1
InChIKey SNFGYZCGCKJSLK-DFBGVHRSSA-N
Molecular Weight 264.321 g/mol
SMILES O[C@]1([C@@]2(C(=C(C([C@@](C2)(O)[H])=O)C)C=C(C1=O)C(C)C)C)[H]
SPLASH splash10-0hfx-5390000000-7fba1a95dd2448f5a5da
Source of Spectrum K-114-2422-0
Synonyms (1S,7R,8aS)-1,7-dihydroxy-3-isopropyl-5,8a-dimethyl-1,7,8,8a-tetrahydro-2,6-naphthalenedione 1,2,6,7,8,9-Hexahydro-1,dihydroxy-5-methyl-3-isopropyl naphthalene-2,6-dione
Wiley ID 1267960