Chem
J-GLOBAL ID：201007074530299192   Nikkaji number：J2.796.960G

4-Ketomyxol

4-ケトミキソール
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： C40H54O4
Molecular formula furigana： C40-H54-O4
Molecular weight： 598.868
InChI： InChI=1S/C40H54O4/c1-29(18-13-20-31(3)21-15-23-33(5)25-27-37(42)40(9,10)44)16-11-12-17-30(2)19-14-22-32(4)24-26-35-34(6)38(43)36(41)28-39(35,7)8/h11-27,36-37,41-42,44H,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25?,29-16+,30-17+,31-20+,32-22+,33-23+/t36-,37-/m0/s1
InChI key： KNOCSVIWFHUSCQ-SYAUADIQSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C[C@H](O)C(C)(C)O
Systematic name  (3)：
  • (2′S,3S)-3′,4′-ジデヒドロ-1′,2′-ジヒドロ-1′,2′,3-トリヒドロキシ-4-オキソ-β,ψ-カロテン
  • (6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,23S)-23,24-ジヒドロキシ-3,7,12,16,20,24-ヘキサメチルペンタコサ-1,3,5,7,9,11,13,15,17,19,21-ウンデカエン-1-イル]-6-ヒドロキシ-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
  • (6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,23S)-23,24-dihydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one
Other name (3)：
  • (2′S,3S)-3′,4′-Didehydro-1′,2′-dihydro-1′,2′,3-trihydroxy-4-oxo-β,ψ-carotene
  • 4-Ketomyxol
  • 4-ケトミキソール
KEGG COMPOUND： C15928
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