Chem
J-GLOBAL ID：200907028314428350   Nikkaji number：J2.695.564E

(1β,9E,11α)-5α-Methyl-14α-(3-bromobenzoyloxy)-4,15-dioxabicyclo[9.3.1]pentadeca-9-ene-3-one

(1β,9E,11α)-5α-メチル-14α-(3-ブロモベンゾイルオキシ)-4,15-ジオキサビシクロ[9.3.1]ペンタデカ-9-エン-3-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： C21H25BrO5
Molecular formula furigana： C21-H25-BR-O5
Molecular weight： 437.330
InChI： InChI=1S/C21H25BrO5/c1-14-6-3-2-4-9-17-10-11-18(19(26-17)13-20(23)25-14)27-21(24)15-7-5-8-16(22)12-15/h4-5,7-9,12,14,17-19H,2-3,6,10-11,13H2,1H3/b9-4-/t14-,17+,18+,19+/m1/s1
InChI key： CXNXZZJPLGLUHA-UVXGJZQPSA-N
SMILES： C[C@@H]1CCC/C=C\[C@H]2CC[C@H](OC(=O)c3cccc(Br)c3)[C@H](CC(=O)O1)O2
Systematic name  (3)：
  • (1β,9E,11α)-5α-メチル-14α-(3-ブロモベンゾイルオキシ)-4,15-ジオキサビシクロ[9.3.1]ペンタデカ-9-エン-3-オン
  • (1S,5R,9Z,11R,14S)-5-メチル-3-オキソ-4,15-ジオキサビシクロ[9.3.1]ペンタデカ-9-エン-14-イル 3-ブロモベンゾアート
  • (1S,5R,9Z,11R,14S)-5-methyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-9-en-14-yl 3-bromobenzoate
Other name (1)：
  • (1β,9E,11α)-5α-Methyl-14α-(3-bromobenzoyloxy)-4,15-dioxabicyclo[9.3.1]pentadeca-9-ene-3-one
Thsaurus map：
Thesaurus Map

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