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(3S*)-1-Acetoxy-3-ethyl-8-hydroxy-1,2,3,4-tetrahydrobenz[a]anthracene-7,12-dione
SpectraBase Compound ID AWk7BC5pbwp
InChI InChI=1S/C22H20O5/c1-3-12-9-13-7-8-15-20(18(13)17(10-12)27-11(2)23)22(26)14-5-4-6-16(24)19(14)21(15)25/h4-8,12,17,24H,3,9-10H2,1-2H3/t12-,17?/m0/s1
InChIKey KDWDGTPCVZSOST-WHUIICBVSA-N
Mol Weight 364.4 g/mol
Molecular Formula C22H20O5
Exact Mass 364.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qt7A4PiQnf
Name (3S*)-1-Acetoxy-3-ethyl-8-hydroxy-1,2,3,4-tetrahydrobenz[a]anthracene-7,12-dione
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Formula C22H20O5
InChI InChI=1S/C22H20O5/c1-3-12-9-13-7-8-15-20(18(13)17(10-12)27-11(2)23)22(26)14-5-4-6-16(24)19(14)21(15)25/h4-8,12,17,24H,3,9-10H2,1-2H3/t12-,17?/m0/s1
InChIKey KDWDGTPCVZSOST-WHUIICBVSA-N
Molecular Weight 364.397 g/mol
SMILES Oc1c2C(c3c(C(c2ccc1)=O)c1c(cc3)C[C@@](CC1OC(=O)C)(CC)[H])=O
SPLASH splash10-00di-0039000000-25664937ea089508753d
Source of Spectrum F-56-4756-12
Synonyms (1R*,3R*)-1-Acetoxy-3-ethyl-8-hydroxy-1,2,3,4-tetrahydrobenz[a]anthracene-7,12-dione (3S)-3-ethyl-8-hydroxy-7,12-dioxo-1,2,3,4,7,12-hexahydrobenzo[a]anthracen-1-yl acetate
Wiley ID 856692