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1,4-Naphthalenedione, octahydro-8-hydroxy-4a-methyl-7-(1-methylethyl)-, [4aS-(4a.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
SpectraBase Compound ID 3mLsBzW12oK
InChI InChI=1S/C14H22O3/c1-8(2)9-6-7-14(3)11(16)5-4-10(15)12(14)13(9)17/h8-9,12-13,17H,4-7H2,1-3H3/t9-,12-,13-,14-/m1/s1
InChIKey YKVZRTFOFNTZIJ-ICGCDAGXSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQ9JJKWB7BE
Name 1,4-Naphthalenedione, octahydro-8-hydroxy-4a-methyl-7-(1-methylethyl)-, [4aS-(4a.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
Alternate Name(s) (4aS,7R,8R,8aS)-8-hydroxy-7-isopropyl-4a-methyloctahydro-1,4-naphthalenedione 8(R)-(1-methylethyl)-7(R)hydroxy-1(S)methyl-6H(R)-bicyclo[4.4.0]decane-2,5-dione
CAS Registry Number 76373-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-8(2)9-6-7-14(3)11(16)5-4-10(15)12(14)13(9)17/h8-9,12-13,17H,4-7H2,1-3H3/t9-,12-,13-,14-/m1/s1
InChIKey YKVZRTFOFNTZIJ-ICGCDAGXSA-N
Molecular Weight 238.327 g/mol
SMILES O[C@]1([C@@]2([C@@](C(=O)CCC2=O)(CC[C@@]1(C(C)C)[H])C)[H])[H]
SPLASH splash10-0006-9040000000-93c1bfc328b0c5d9e196
Source of Spectrum AN-90-259-0
Wiley ID 1240764