Chem
J-GLOBAL ID：200907026134176970   Nikkaji number：J2.734.075J

3-[(E)-2-(2,2,6α-Trimethyl-4α-hydroxy-7-oxabicyclo[4.1.0]heptane-1α-yl)ethenyl]-5-[(1Z,2E,4E,6E,8E,10E)-2,11-dimethyl-13-(2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene)-2,4,6,8,10,12-tridecahexaenylidene]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,8E,10E)-2,11-ジメチル-13-(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)-2,4,6,8,10,12-トリデカヘキサエニリデン]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： C41H52O7
Molecular formula furigana： C41-H52-O7
Molecular weight： 656.860
InChI： InChI=1S/C41H52O7/c1-28(18-19-35-37(4,5)26-34(46-30(3)42)27-39(35,8)45)16-14-12-10-11-13-15-17-29(2)22-33-23-31(36(44)47-33)20-21-41-38(6,7)24-32(43)25-40(41,9)48-41/h10-18,20-23,32,34,43,45H,24-27H2,1-9H3/b11-10+,14-12+,15-13+,21-20+,28-16+,29-17+,33-22-/t19?,32-,34-,39+,40+,41-/m0/s1
InChI key： LIGSHFDEQFUFDJ-PHGWDVPKSA-N
SMILES： CC(=O)O[C@H]1CC(C)(C)C(=C=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,8E,10E)-2,11-ジメチル-13-(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)-2,4,6,8,10,12-トリデカヘキサエニリデン]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,8E,10E)-13-[(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]-2,11-ジメチル-2,4,6,8,10,12-トリデカヘキサエニリデン]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,8E,10E)-2,11-dimethyl-13-(2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene)-2,4,6,8,10,12-tridecahexaenylidene]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,8E,10E)-13-[(2R)-2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene]-2,11-dimethyl-2,4,6,8,10,12-tridecahexaenylidene]furan-2(5H)-one
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