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9-trans-(1-Hexynyl)-7,8,9,10-tetrahydro-6,7-rel,9-cis,11-tetrahydroxy-5,12-naphthacenequinone
SpectraBase Compound ID 48MH7t3erd4
InChI InChI=1S/C24H22O6/c1-2-3-4-7-10-24(30)11-15-17(16(25)12-24)23(29)19-18(22(15)28)20(26)13-8-5-6-9-14(13)21(19)27/h5-6,8-9,16,25,28-30H,2-4,11-12H2,1H3/t16-,24-/m0/s1
InChIKey OXUNVDQOWXDITB-FYSMJZIKSA-N
Mol Weight 406.43 g/mol
Molecular Formula C24H22O6
Exact Mass 406.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOtAa8cZelC
Name 9-trans-(1-Hexynyl)-7,8,9,10-tetrahydro-6,7-rel,9-cis,11-tetrahydroxy-5,12-naphthacenequinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O6
InChI InChI=1S/C24H22O6/c1-2-3-4-7-10-24(30)11-15-17(16(25)12-24)23(29)19-18(22(15)28)20(26)13-8-5-6-9-14(13)21(19)27/h5-6,8-9,16,25,28-30H,2-4,11-12H2,1H3/t16-,24-/m0/s1
InChIKey OXUNVDQOWXDITB-FYSMJZIKSA-N
Molecular Weight 406.434 g/mol
SMILES Oc1c2C[C@@](C[C@@](c2c(c2C(c3c(C(c12)=O)cccc3)=O)O)(O)[H])(O)C#CCCCC
SPLASH splash10-0w99-0039100000-1db884101cffd3a98825
Source of Spectrum K-113-2987-19
Synonyms (7S,9S)-9-(hex-1-yn-1-yl)-6,7,9,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Wiley ID 1792813