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(2R,4aR,7R,8aR)-2,4a,7,8,-Tetrahydro-7-Hydroxy-2,4a,5-trimethyl-2-(2-oxopropyl)naphthalene-1,4(2H,8aH)-dione
SpectraBase Compound ID 6wJJnv3jQpj
InChI InChI=1S/C16H22O4/c1-9-5-11(18)6-12-14(20)15(3,7-10(2)17)8-13(19)16(9,12)4/h5,11-12,18H,6-8H2,1-4H3/t11-,12-,15+,16-/m0/s1
InChIKey MLLRETGKXQDFFM-RKLWJJNISA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBTvEJwvd7M
Name (2R,4aR,7R,8aR)-2,4a,7,8,-Tetrahydro-7-Hydroxy-2,4a,5-trimethyl-2-(2-oxopropyl)naphthalene-1,4(2H,8aH)-dione
Alternate Name(s) (2R,4aR,7R,8aR)-7-hydroxy-2,4a,5-trimethyl-2-(2-oxopropyl)-2,3,8,8a-tetrahydronaphthalene-1,4(4aH,7H)-dione
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Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-9-5-11(18)6-12-14(20)15(3,7-10(2)17)8-13(19)16(9,12)4/h5,11-12,18H,6-8H2,1-4H3/t11-,12-,15+,16-/m0/s1
InChIKey MLLRETGKXQDFFM-RKLWJJNISA-N
Literature Reference DOI 10.1021/ol070994z
Molecular Weight 278.348 g/mol
SMILES O[C@@]1(C[C@]2(C(=O)[C@@](CC(=O)[C@@]2(C)C(C)=C1)(CC(C)=O)C)[H])[H]
SPLASH splash10-00di-0970000000-788fb1be2475416ba6e9
Source of Spectrum A1-9-2843/SMS5-30
Wiley ID 1758270