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Isospongiaquinone - acetate
SpectraBase Compound ID J5mGJ0j5ELZ
InChI InChI=1S/C24H32O5/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-21(27)19(29-16(3)25)12-18(26)22(17)28-6/h8,12,15,20H,7,9-11,13H2,1-6H3/t15-,20+,23+,24+/m0/s1
InChIKey GVERFRMBNGUXTM-LLUPRIMMSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCu0x1cFXc7
Name Isospongiaquinone - acetate
Alternate Name(s) 2-{[1',2',5',10'-Tetramethyl-(octahydro)naphthyl]methyl}-4-methoxy-1-acetoxycyclohexa-1,4-diene-3,6-dione
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Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-21(27)19(29-16(3)25)12-18(26)22(17)28-6/h8,12,15,20H,7,9-11,13H2,1-6H3/t15-,20+,23+,24+/m0/s1
InChIKey GVERFRMBNGUXTM-LLUPRIMMSA-N
Molecular Weight 400.515 g/mol
SMILES C=1(C(C(OC(=O)C)=CC(C1OC)=O)=O)C[C@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@@]1(C)[H])[H])C
SPLASH splash10-00kb-4911000000-70c426e149ee1323ed5f
Source of Spectrum G4-63-456-15
Wiley ID 1608318