Chem
J-GLOBAL ID：200907019174634575   Nikkaji number：J2.734.076H

3-[(E)-2-(2,2,6α-Trimethyl-4α-hydroxy-7-oxabicyclo[4.1.0]heptane-1α-yl)ethenyl]-5-[(1Z,2E,4E,6E)-2,7-dimethyl-9-(2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene)-2,4,6,8-nonatetraenylidene]furan-2(5H)-one

3-[(E)-2-(2,2,6α-トリメチル-4α-ヒドロキシ-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,6E)-2,7-ジメチル-9-(2α-ヒドロキシ-4β-アセトキシ-2,6,6-トリメチルシクロヘキシリデン)-2,4,6,8-ノナテトラエニリデン]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： C37H48O7
Molecular formula furigana： C37-H48-O7
Molecular weight： 604.784
InChI： InChI=1S/C37H48O7/c1-24(14-15-31-33(4,5)22-30(42-26(3)38)23-35(31,8)41)12-10-11-13-25(2)18-29-19-27(32(40)43-29)16-17-37-34(6,7)20-28(39)21-36(37,9)44-37/h10-14,16-19,28,30,39,41H,20-23H2,1-9H3/b11-10+,17-16+,24-12+,25-13+,29-18-/t15?,28-,30-,35+,36+,37-/m0/s1
InChI key： BRHYGGXVHARCOK-KMRNJEEVSA-N
SMILES： CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(=C/C=C/C=C(\C)/C=C/2\OC(=O)C(=C2)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)/C)[C@](C)(O)C1
Systematic name  (2)：
  • 3-[(E)-2-(2,2,6α-トリメチル-4α-ヒドロキシ-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,6E)-2,7-ジメチル-9-(2α-ヒドロキシ-4β-アセトキシ-2,6,6-トリメチルシクロヘキシリデン)-2,4,6,8-ノナテトラエニリデン]フラン-2(5H)-オン
  • 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,6E)-9-[(2R)-2α-ヒドロキシ-4β-アセトキシ-2,6,6-トリメチルシクロヘキシリデン]-2,7-ジメチル-2,4,6,8-ノナテトラエニリデン]フラン-2(5H)-オン
Other name (2)：
  • 3-[(E)-2-(2,2,6α-Trimethyl-4α-hydroxy-7-oxabicyclo[4.1.0]heptane-1α-yl)ethenyl]-5-[(1Z,2E,4E,6E)-2,7-dimethyl-9-(2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene)-2,4,6,8-nonatetraenylidene]furan-2(5H)-one
  • 3-[(E)-2-[(1S)-4α-Hydroxy-2,2,6α-trimethyl-7-oxabicyclo[4.1.0]heptane-1α-yl]ethenyl]-5-[(1Z,2E,4E,6E)-9-[(2R)-2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene]-2,7-dimethyl-2,4,6,8-nonatetraenylidene]furan-2(5H)-one
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