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(4S,4aS,12aR)-6,11-bis(oxidanyl)-4-(3,4,5-trimethoxyphenyl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,12-trione
SpectraBase Compound ID I7e6feC9qfA
InChI InChI=1S/C27H24O8/c1-33-18-8-12(9-19(34-2)27(18)35-3)16-10-13(28)11-17-20(16)26(32)22-21(25(17)31)23(29)14-6-4-5-7-15(14)24(22)30/h4-9,16-17,20,29-30H,10-11H2,1-3H3/t16-,17-,20+/m1/s1
InChIKey VLQWOHNGEHGWDJ-HLIPFELVSA-N
Mol Weight 476.48 g/mol
Molecular Formula C27H24O8
Exact Mass 476.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68pspBdat5u
Name (4S,4aS,12aR)-6,11-bis(oxidanyl)-4-(3,4,5-trimethoxyphenyl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,12-trione
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Formula C27H24O8
InChI InChI=1S/C27H24O8/c1-33-18-8-12(9-19(34-2)27(18)35-3)16-10-13(28)11-17-20(16)26(32)22-21(25(17)31)23(29)14-6-4-5-7-15(14)24(22)30/h4-9,16-17,20,29-30H,10-11H2,1-3H3/t16-,17-,20+/m1/s1
InChIKey VLQWOHNGEHGWDJ-HLIPFELVSA-N
Molecular Weight 476.481 g/mol
SMILES Oc1c2c(c(c3c1cccc3)O)C([C@@]1([C@](C2=O)(CC(C[C@@]1(c1cc(OC)c(c(c1)OC)OC)[H])=O)[H])[H])=O
SPLASH splash10-005c-0740900000-4065e94c1371125c7a22
Source of Spectrum F-54-6120-8
Synonyms (4S,4aS,12aR)-6,11-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,12-trione
Wiley ID 807302