Chem
J-GLOBAL ID：200907075217358345   Nikkaji number：J20.583D

AS-6

AS-6
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： C25H31ClO6
Molecular formula furigana： C25-H31-CL-O6
Molecular weight： 462.970
InChI： InChI=1S/C25H31ClO6/c1-14(10-11-25(5)15(2)7-9-20(28)17(25)4)6-8-18-23(31)19(12-27)16(3)22(26)24(18)32-13-21(29)30/h6,10-12,15,17,31H,7-9,13H2,1-5H3,(H,29,30)/b11-10+,14-6+/t15-,17+,25-/m0/s1
InChI key： YRRAKQFQGINEPT-DHVHQQCNSA-N
SMILES： C[C@H]1CCC(=O)[C@@H](C)[C@@]1(C)/C=C/C(=C/Cc1c(O)c(C=O)c(C)c(Cl)c1OCC(=O)O)/C
Systematic name  (4)：
  • [2-クロロ-4-ホルミル-5-ヒドロキシ-3-メチル-6-[(2E,4E)-3-メチル-5-[(1R)-1β,2α,6α-トリメチル-3-オキソシクロヘキシル]-2,4-ペンタジエニル]フェノキシ]酢酸
  • [2-[(2E,4E)-3-メチル-5-[(1R)-1β,2α,6α-トリメチル-3-オキソシクロヘキシル]-2,4-ペンタジエニル]-3-ヒドロキシ-4-ホルミル-5-メチル-6-クロロフェノキシ]酢酸
  • 2-{2-クロロ-4-ホルミル-5-ヒドロキシ-3-メチル-6-[(2E,4E)-3-メチル-5-[(1R,2S,6S)-1,2,6-トリメチル-3-オキソシクロヘキシル]ペンタ-2,4-ジエン-1-イル]フェノキシ}酢酸
  • 2-{2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]phenoxy}acetic acid
Other name (5)：
  • AS-6
  • [2-Chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R)-1β,2α,6α-trimethyl-3-oxocyclohexyl]-2,4-pentadienyl]phenoxy]acetic acid
  • [2-[(2E,4E)-3-Methyl-5-[(1R)-1β,2α,6α-trimethyl-3-oxocyclohexyl]-2,4-pentadienyl]-3-hydroxy-4-formyl-5-methyl-6-chlorophenoxy]acetic acid
  • 4-O-カルボキシメチルアスコクロリン
  • 4-O-Carboxymethyl ascochlorin
CAS registry number： 84435-25-6
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