Chem
J-GLOBAL ID：200907092629880226   Nikkaji number：J1.932.804J

Bis[(S)-3-acetoxybutyric acid]2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl ester

ビス[(S)-3-アセトキシ酪酸]2,5-ビス(4-ヒドロキシフェニル)-3,6-ジオキソ-1,4-シクロヘキサジエン-1,4-ジイル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H28O12
Molecular formula furigana： C30-H28-O12
Molecular weight： 580.542
InChI： InChI=1S/C30H28O12/c1-15(39-17(3)31)13-23(35)41-29-25(19-5-9-21(33)10-6-19)28(38)30(42-24(36)14-16(2)40-18(4)32)26(27(29)37)20-7-11-22(34)12-8-20/h5-12,15-16,33-34H,13-14H2,1-4H3/t15-,16-/m0/s1
InChI key： JLBPQXXCMVFQBV-HOTGVXAUSA-N
SMILES： C[C@@H](CC(=O)OC1=C(C(=O)C(=C(C1=O)c1ccc(O)cc1)OC(=O)C[C@H](C)OC(=O)C)c1ccc(O)cc1)OC(=O)C
Systematic name  (3)：
  • ビス[(S)-3-アセトキシ酪酸]2,5-ビス(4-ヒドロキシフェニル)-3,6-ジオキソ-1,4-シクロヘキサジエン-1,4-ジイル
  • 4-{[(3S)-3-(アセチルオキシ)ブタノイル]オキシ}-2,5-ビス(4-ヒドロキシフェニル)-3,6-ジオキソシクロヘキサ-1,4-ジエン-1-イル (3S)-3-(アセチルオキシ)ブタノアート
  • 4-{[(3S)-3-(acetyloxy)butanoyl]oxy}-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl (3S)-3-(acetyloxy)butanoate
Other name (1)：
  • Bis[(S)-3-acetoxybutyric acid]2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl ester
Thsaurus map：
Thesaurus Map

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