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5,12-Naphthacenedione, 9-acetyl-7,8,9,10-tetrahydro-6,7,9,11-tetrahydroxy-, (7S-cis)-
SpectraBase Compound ID 28yXnvafb7N
InChI InChI=1S/C20H16O7/c1-8(21)20(27)6-11-13(12(22)7-20)19(26)15-14(18(11)25)16(23)9-4-2-3-5-10(9)17(15)24/h2-5,12,22,25-27H,6-7H2,1H3/t12-,20-/m0/s1
InChIKey ZUFQFGSMHXKORU-YUNKPMOVSA-N
Mol Weight 368.34 g/mol
Molecular Formula C20H16O7
Exact Mass 368.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mAkTM0Mdvp
Name 5,12-Naphthacenedione, 9-acetyl-7,8,9,10-tetrahydro-6,7,9,11-tetrahydroxy-, (7S-cis)-
CAS Registry Number 60660-75-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O7
InChI InChI=1S/C20H16O7/c1-8(21)20(27)6-11-13(12(22)7-20)19(26)15-14(18(11)25)16(23)9-4-2-3-5-10(9)17(15)24/h2-5,12,22,25-27H,6-7H2,1H3/t12-,20-/m0/s1
InChIKey ZUFQFGSMHXKORU-YUNKPMOVSA-N
Molecular Weight 368.341 g/mol
SMILES Oc1c2c(c(c3C[C@](C[C@@](c13)(O)[H])(C(=O)C)O)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-000i-0904000000-b4204cac2b419ac5e139
Source of Spectrum KC-1990-428-2
Synonyms (+)-4-Demethoxydaunomycinone (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone (7S,9S)-9-ethanoyl-6,7,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione 5,12-Naphthacenedione, 9-acetyl-7,8,9,10-tetrahydro-6,7,9,11-tetrahydroxy-, (7S,9S)-
Wiley ID 1352960