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9-cis-Ethyl-7,8,9,10-tetrahydro-6,7-rel,9-trans,11-tetrahydroxy-5,12-naphthacenequinone
SpectraBase Compound ID CVBZLDhpNNL
InChI InChI=1S/C20H18O6/c1-2-20(26)7-11-13(12(21)8-20)19(25)15-14(18(11)24)16(22)9-5-3-4-6-10(9)17(15)23/h3-6,12,21,24-26H,2,7-8H2,1H3/t12-,20+/m1/s1
InChIKey LLNJQZPRRRZFMP-ODXCJYRJSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBLDh8O4O3L
Name 9-cis-Ethyl-7,8,9,10-tetrahydro-6,7-rel,9-trans,11-tetrahydroxy-5,12-naphthacenequinone
Alternate Name(s) (7R,9S)-9-ethyl-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 C20H18O6
InChI InChI=1S/C20H18O6/c1-2-20(26)7-11-13(12(21)8-20)19(25)15-14(18(11)24)16(22)9-5-3-4-6-10(9)17(15)23/h3-6,12,21,24-26H,2,7-8H2,1H3/t12-,20+/m1/s1
InChIKey LLNJQZPRRRZFMP-ODXCJYRJSA-N
Molecular Weight 354.358 g/mol
SMILES Oc1c2[C@@](C[C@](Cc2c(c2C(c3ccccc3C(c12)=O)=O)O)(O)CC)(O)[H]
SPLASH splash10-0a4r-0009000000-191e802a3a5f6d27e076
Source of Spectrum K-113-2989-36
Wiley ID 1792816