Chem
J-GLOBAL ID：200907002446366613   Nikkaji number：J1.658.295F

5α-Acetoxy-6β-(iodomethyl)-5,6,7aβ,7bβ-tetrahydro-1,7-dioxa-2H-cyclopenta[cd]indene-4(4aβH)-one

5α-アセトキシ-6β-(ヨードメチル)-5,6,7aβ,7bβ-テトラヒドロ-1,7-ジオキサ-2H-シクロペンタ[cd]インデン-4(4aβH)-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： C12H13IO5
Molecular formula furigana： C12-H13-I-O5
Molecular weight： 364.135
InChI： InChI=1S/C12H13IO5/c1-5(14)17-11-8(3-13)18-12-9-6(4-16-12)2-7(15)10(9)11/h2,8-12H,3-4H2,1H3/t8-,9-,10+,11-,12+/m1/s1
InChI key： XGELXPAOAYWUMK-ZIQFBCGOSA-N
SMILES： CC(=O)O[C@H]1[C@@H]2[C@@H]3[C@@H](OCC3=CC2=O)O[C@@H]1CI
Systematic name  (3)：
  • 5α-アセトキシ-6β-(ヨードメチル)-5,6,7aβ,7bβ-テトラヒドロ-1,7-ジオキサ-2H-シクロペンタ[cd]インデン-4(4aβH)-オン
  • (1S,7S,8S,9S,11S)-9-(ヨードメチル)-6-オキソ-2,10-ジオキサトリシクロ[5.3.1.04,11]ウンデカ-4-エン-8-イル アセタート
  • (1S,7S,8S,9S,11S)-9-(iodomethyl)-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-8-yl acetate
Other name (1)：
  • 5α-Acetoxy-6β-(iodomethyl)-5,6,7aβ,7bβ-tetrahydro-1,7-dioxa-2H-cyclopenta[cd]indene-4(4aβH)-one
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