Chem
J-GLOBAL ID:200907017587348632   Nikkaji number:J2.294.077E

(2R,3aβ,9aS)-9β-[2-(3-Methyl-2-butenoyloxy)ethenyl]-2-methoxy-2,8-dimethyl-8-(4-methyl-3-pentenyl)-2,3,5,7,8,9-hexahydro-3aH-furo[3,2-c]isobenzofuran

(2R,3aβ,9aS)-9β-[2-(3-メチル-2-ブテノイルオキシ)エテニル]-2-メトキシ-2,8-ジメチル-8-(4-メチル-3-ペンテニル)-2,3,5,7,8,9-ヘキサヒドロ-3aH-フロ[3,2-c]イソベンゾフラン
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: C26H38O5
Molecular formula furigana: C26-H38-O5
Molecular weight: 430.585
InChI: InChI=1S/C26H38O5/c1-18(2)9-8-12-24(5)13-10-20-17-30-22-16-25(6,28-7)31-26(20,22)21(24)11-14-29-23(27)15-19(3)4/h9-11,14-15,21-22H,8,12-13,16-17H2,1-7H3/t21-,22+,24?,25-,26-/m1/s1
InChI key: YNJGXQUTVLYUEZ-CEPJWFGASA-N
SMILES: CO[C@@]1(C)C[C@@H]2OCC3=CCC(C)(CCC=C(C)C)[C@@H](C=COC(=O)C=C(C)C)[C@@]23O1
Systematic name  (3):
  • (2R,3aβ,9aS)-9β-[2-(3-メチル-2-ブテノイルオキシ)エテニル]-2-メトキシ-2,8-ジメチル-8-(4-メチル-3-ペンテニル)-2,3,5,7,8,9-ヘキサヒドロ-3aH-フロ[3,2-c]イソベンゾフラン
  • 2-[(1S,3R,5S,12R)-3-メトキシ-3,11-ジメチル-11-(4-メチルペンタ-3-エン-1-イル)-2,6-ジオキサトリシクロ[6.4.0.01,5]ドデカ-8-エン-12-イル]エテニル 3-メチルブタ-2-エノアート
  • 2-[(1S,3R,5S,12R)-3-methoxy-3,11-dimethyl-11-(4-methylpent-3-en-1-yl)-2,6-dioxatricyclo[6.4.0.01,5]dodec-8-en-12-yl]ethenyl 3-methylbut-2-enoate
Other name (1):
  • (2R,3aβ,9aS)-9β-[2-(3-Methyl-2-butenoyloxy)ethenyl]-2-methoxy-2,8-dimethyl-8-(4-methyl-3-pentenyl)-2,3,5,7,8,9-hexahydro-3aH-furo[3,2-c]isobenzofuran
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