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(+/-)-4-demethoxydaunomycinone
SpectraBase Compound ID Jb9DwPQ5G6G
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-UDRWWJRQSA-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 49j4dfU49ee
Name (+/-)-4-demethoxydaunomycinone
Alternate Name(s) (9S)-9-acetyl-6,7,9,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
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-UDRWWJRQSA-N
Molecular Weight 368.341 g/mol
SMILES Oc1c2C(c3ccccc3C(c2c(c2C[C@@](CC(c12)O)(O)C(C)=O)O)=O)=O
SPLASH splash10-00lr-0009000000-36c551f5f6b8a9b06d74
Source of Spectrum K-112-3466-1
Wiley ID 1794286