Chem
J-GLOBAL ID：200907085500587194   Nikkaji number：J760.332K

Neovibsanine A

ネオビブサニンA
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/b14-11+/t21-,22+,24+,25-,26-/m1/s1
InChI key： YNJGXQUTVLYUEZ-AKZSVLAMSA-N
SMILES： CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@@]23O1
Systematic name  (4)：
  • 3-メチル-2-ブテン酸(E)-2-[[(9aS)-2β-メトキシ-2,8-ジメチル-8α-(4-メチル-3-ペンテニル)-2,3,5,7,8,9-ヘキサヒドロ-3aβH-フロ[3,2-c]イソベンゾフラン]-9β-イル]エテニル
  • (2R,9aS)-2β-メトキシ-2,8-ジメチル-8α-(4-メチル-3-ペンテニル)-9β-[(E)-2-(3-メチル-2-ブテノイルオキシ)エテニル]-2,3,5,7,8,9-ヘキサヒドロ-3aβH-フロ[3,2-c]イソベンゾフラン
  • (1E)-2-[(1S,3R,5S,11S,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
  • (1E)-2-[(1S,3R,5S,11S,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 (5)：
  • ネオビブサニンA
  • Neovibsanin A
  • 3-Methyl-2-butenoic acid (E)-2-[[(9aS)-2β-methoxy-2,8-dimethyl-8α-(4-methyl-3-pentenyl)-2,3,5,7,8,9-hexahydro-3aβH-furo[3,2-c]isobenzofuran]-9β-yl]ethenyl ester
  • (2R,9aS)-2β-Methoxy-2,8-dimethyl-8α-(4-methyl-3-pentenyl)-9β-[(E)-2-(3-methyl-2-butenoyloxy)ethenyl]-2,3,5,7,8,9-hexahydro-3aβH-furo[3,2-c]isobenzofuran
  • Neovibsanine A
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