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5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (R)-
SpectraBase Compound ID D3zE5AgnOdv
InChI InChI=1S/C21H18O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,22,24,26,28H,5-8H2,1H3
InChIKey QHGFPRZWWKUHKF-UHFFFAOYSA-N
Mol Weight 398.37 g/mol
Molecular Formula C21H18O8
Exact Mass 398.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxhX5kwg29r
Name 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (R)-
CAS Registry Number 38554-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O8
InChI InChI=1S/C21H18O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,22,24,26,28H,5-8H2,1H3
InChIKey QHGFPRZWWKUHKF-UHFFFAOYSA-N
Molecular Weight 398.367 g/mol
SMILES Oc1c2C(c3cccc(c3C(c2c(c2c1CC(C(CO)=O)(CC2)O)O)=O)OC)=O
SPLASH splash10-000j-2139000000-5ef20868b6c80a4f025e
Source of Spectrum W5-33448-32088-32088
Synonyms 8-Glycoloyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione 4-Methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione 6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione 6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione 7-Deoxyadriamycin aglycone 7-Deoxyadriamycinone 7-Deoxydoxorubicin aglycone 7-Deoxydoxorubicinone 9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Adriamycin 7-deoxyaglycone Doxorubicin 7-deoxyaglycone NSC 270536
Wiley ID 1368330