Chem
J-GLOBAL ID：200907022759439515
Nikkaji number：J2.734.074A
3-[(E)-2-(2,2,6α-Trimethyl-4α-hydroxy-7-oxabicyclo[4.1.0]heptane-1α-yl)ethenyl]-5-[(1Z,2E,4E)-2,5-dimethyl-7-(2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene)-2,4,6-heptatrienylidene]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)-2,5-ジメチル-7-(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-ヘプタトリエニリデン]フラン-2(5H)-オン
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
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
Molecular formula： C35H46O7
Molecular formula furigana： C35-H46-O7
Molecular weight： 578.746
InChI：
InChI=1S/C35H46O7/c1-22(12-13-29-31(4,5)20-28(40-24(3)36)21-33(29,8)39)10-11-23(2)16-27-17-25(30(38)41-27)14-15-35-32(6,7)18-26(37)19-34(35,9)42-35/h10-12,14-17,26,28,37,39H,18-21H2,1-9H3/b15-14+,22-10+,23-11+,27-16-/t13?,26-,28-,33+,34+,35-/m0/s1
InChI key：
AEUMZBJMIASVIQ-UTUIWDHVSA-N
SMILES：
CC(=O)O[C@H]1CC(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)-2,5-ジメチル-7-(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-ヘプタトリエニリデン]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)-7-[(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]-2,5-ジメチル-2,4,6-ヘプタトリエニリデン]フラン-2(5H)-オン
- 3-[(E)-2-(2,2,6α-Trimethyl-4α-hydroxy-7-oxabicyclo[4.1.0]heptane-1α-yl)ethenyl]-5-[(1Z,2E,4E)-2,5-dimethyl-7-(2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene)-2,4,6-heptatrienylidene]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)-7-[(2R)-2α-hydroxy-4β-acetoxy-2,6,6-trimethylcyclohexylidene]-2,5-dimethyl-2,4,6-heptatrienylidene]furan-2(5H)-one
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