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3-trans-Ethyl-1,2,3,4-trans-tetrahydro-1-rel,3-cis,5,8-tetrahydroxy-9,10-anthraquinone
SpectraBase Compound ID 2zTwSK72GZS
InChI InChI=1S/C16H16O6/c1-2-16(22)5-7-11(10(19)6-16)15(21)13-9(18)4-3-8(17)12(13)14(7)20/h3-4,10,17-19,22H,2,5-6H2,1H3/t10-,16-/m0/s1
InChIKey VVRGNTNRXBQGII-QFYYESIMSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nWUq0usgx8
Name 3-trans-Ethyl-1,2,3,4-trans-tetrahydro-1-rel,3-cis,5,8-tetrahydroxy-9,10-anthraquinone
Alternate Name(s) (1S,3S)-3-ethyl-1,3,5,8-tetrahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-2-16(22)5-7-11(10(19)6-16)15(21)13-9(18)4-3-8(17)12(13)14(7)20/h3-4,10,17-19,22H,2,5-6H2,1H3/t10-,16-/m0/s1
InChIKey VVRGNTNRXBQGII-QFYYESIMSA-N
Molecular Weight 304.298 g/mol
SMILES Oc1ccc(c2C(C=3C[C@@](C[C@@](C3C(c12)=O)(O)[H])(O)CC)=O)O
SPLASH splash10-000i-0091000000-9f0d2d49df98ae43d8ce
Source of Spectrum K-113-2987-17
Wiley ID 1792811