Chem
J-GLOBAL ID：200907040474169466   Nikkaji number：J629.803F

(5Z)-5-[(2E,4E,6E,8E)-2,9-Dimethyl-11-[(1S,2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethylcyclohexan-1-ylidene]-2,4,6,8,10-undecapenten-1-ylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2(5H)-one

(5Z)-5-[(2E,4E,6E,8E)-2,9-ジメチル-11-[(1S,2R,4S)-4-アセトキシ-2-ヒドロキシ-2,6,6-トリメチルシクロヘキサン-1-イリデン]-2,4,6,8,10-ウンデカペンタエン-1-イリデン]-3-[(E)-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]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： C39H50O7
Molecular formula furigana： C39-H50-O7
Molecular weight： 630.822
InChI： InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17?,30-,32-,37+,38+,39-/m0/s1
InChI key： UYRDHEJRPVSJFM-VSWVFQEASA-N
SMILES： CC(=O)O[C@H]1CC(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  (1)：
  • (5Z)-5-[(2E,4E,6E,8E)-2,9-ジメチル-11-[(1S,2R,4S)-4-アセトキシ-2-ヒドロキシ-2,6,6-トリメチルシクロヘキサン-1-イリデン]-2,4,6,8,10-ウンデカペンタエン-1-イリデン]-3-[(E)-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]フラン-2(5H)-オン
Other name (1)：
  • (5Z)-5-[(2E,4E,6E,8E)-2,9-Dimethyl-11-[(1S,2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethylcyclohexan-1-ylidene]-2,4,6,8,10-undecapenten-1-ylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2(5H)-one
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