Chem
J-GLOBAL ID：200907053235218344   Nikkaji number：J2.419.474D

(3R,3aα,4aβ,8aα,9aα)-3α-Methyl-4β-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]ethenyl]-7β-(ethoxycarbonylamino)dodecahydronaphtho[2,3-c]furan-1-one

(3R,3aα,4aβ,8aα,9aα)-3α-メチル-4β-[(E)-2-[5-(3-フルオロフェニル)-2-ピリジル]エテニル]-7β-(エトキシカルボニルアミノ)ドデカヒドロナフト[2,3-c]フラン-1-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： C29H33FN2O4
Molecular formula furigana： C29-H33-F-N2-O4
Molecular weight： 492.591
InChI： InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1
InChI key： ZBGXUVOIWDMMJE-QHNZEKIYSA-N
SMILES： CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2/C=C/c2ccc(cn2)c2cccc(F)c2)C1
Systematic name  (3)：
  • (3R,3aα,4aβ,8aα,9aα)-3α-メチル-4β-[(E)-2-[5-(3-フルオロフェニル)-2-ピリジル]エテニル]-7β-(エトキシカルボニルアミノ)ドデカヒドロナフト[2,3-c]フラン-1-オン
  • エチル N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-フルオロフェニル)ピリジン-2-イル]エテニル]-1-メチル-3-オキソ-ドデカヒドロナフト[2,3-c]フラン-6-イル]カルバマート
  • ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-dodecahydronaphtho[2,3-c]furan-6-yl]carbamate
Other name (1)：
  • (3R,3aα,4aβ,8aα,9aα)-3α-Methyl-4β-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]ethenyl]-7β-(ethoxycarbonylamino)dodecahydronaphtho[2,3-c]furan-1-one
Thsaurus map：
Thesaurus Map

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