Chem
J-GLOBAL ID：201007066674559609   Nikkaji number：J2.793.805A

3-[(E)-2-[(1S)-4α-Hydroxy-2,2,6α-trimethyl-7-oxabicyclo[4.1.0]heptane-1α-yl]ethenyl]-5-[(1Z,2E,4E)-2-methyl-6-oxo-2,4-hexadienylidene]furan-2(5H)-one

3-[(E)-2-[(1S)-4α-ヒドロキシ-2,2,6α-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-1α-イル]エテニル]-5-[(1Z,2E,4E)-2-メチル-6-オキソ-2,4-ヘキサジエニリデン]フラン-2(5H)-オン
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： C22H26O5
Molecular formula furigana： C22-H26-O5
Molecular weight： 370.445
InChI： InChI=1S/C22H26O5/c1-15(7-5-6-10-23)11-18-12-16(19(25)26-18)8-9-22-20(2,3)13-17(24)14-21(22,4)27-22/h5-12,17,24H,13-14H2,1-4H3/b6-5+,9-8+,15-7+,18-11-/t17-,21+,22-/m0/s1
InChI key： NOIYMPHUOOKBCO-MNAQUGEESA-N
SMILES： C/C(=C\C=C\C=O)/C=C/1\OC(=O)C(=C1)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Systematic name  (3)：
  • 3-[(E)-2-[(1S)-4α-ヒドロキシ-2,2,6α-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-1α-イル]エテニル]-5-[(1Z,2E,4E)-2-メチル-6-オキソ-2,4-ヘキサジエニリデン]フラン-2(5H)-オン
  • (2E,4E)-6-[(2Z)-4-[(1E)-2-[(1S,4S,6R)-4-ヒドロキシ-2,2,6-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]エテニル]-5-オキソ-2,5-ジヒドロフラン-2-イリデン]-5-メチルヘキサ-2,4-ジエナール
  • (2E,4E)-6-[(2Z)-4-[(1E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]-5-oxo-2,5-dihydrofuran-2-ylidene]-5-methylhexa-2,4-dienal
Other name (1)：
  • 3-[(E)-2-[(1S)-4α-Hydroxy-2,2,6α-trimethyl-7-oxabicyclo[4.1.0]heptane-1α-yl]ethenyl]-5-[(1Z,2E,4E)-2-methyl-6-oxo-2,4-hexadienylidene]furan-2(5H)-one
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