Chem
J-GLOBAL ID：200907075151701086   Nikkaji number：J2.445.402I

(3S,4S,5R,6S,9R,10R,11S,12R)-1,4:1,6-Diepoxy-3,5,9,11-tetramethyl-10,12-diacetoxy-14-(4-bromophenylcarbamoyloxy)tetradecane

(3S,4S,5R,6S,9R,10R,11S,12R)-1,4:1,6-ジエポキシ-3,5,9,11-テトラメチル-10,12-ジアセトキシ-14-(4-ブロモフェニルカルバモイルオキシ)テトラデカン
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： C29H42BrNO8
Molecular formula furigana： C29-H42-BR-N-O8
Molecular weight： 612.558
InChI： InChI=1S/C29H42BrNO8/c1-16(7-12-24-18(3)28-17(2)15-26(38-24)39-28)27(37-21(6)33)19(4)25(36-20(5)32)13-14-35-29(34)31-23-10-8-22(30)9-11-23/h8-11,16-19,24-28H,7,12-15H2,1-6H3,(H,31,34)/t16-,17+,18-,19+,24+,25-,26?,27-,28+/m1/s1
InChI key： XWOOSQOGERPOLW-BGVRJNOYSA-N
SMILES： C[C@H](CC[C@@H]1OC2C[C@H](C)[C@H](O2)[C@@H]1C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](CCOC(=O)Nc1ccc(Br)cc1)OC(=O)C
Systematic name  (3)：
  • (3S,4S,5R,6S,9R,10R,11S,12R)-1,4:1,6-ジエポキシ-3,5,9,11-テトラメチル-10,12-ジアセトキシ-14-(4-ブロモフェニルカルバモイルオキシ)テトラデカン
  • (3R,4R,5S,6R)-6-(アセチルオキシ)-8-{[(4-ブロモフェニル)カルバモイル]オキシ}-1-[(3S,4R,5S,6S)-4,6-ジメチル-2,8-ジオキサビシクロ[3.2.1]オクタン-3-イル]-3,5-ジメチルオクタン-4-イル アセタート
  • (3R,4R,5S,6R)-6-(acetyloxy)-8-{[(4-bromophenyl)carbamoyl]oxy}-1-[(3S,4R,5S,6S)-4,6-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-3,5-dimethyloctan-4-yl acetate
Other name (1)：
  • (3S,4S,5R,6S,9R,10R,11S,12R)-1,4:1,6-Diepoxy-3,5,9,11-tetramethyl-10,12-diacetoxy-14-(4-bromophenylcarbamoyloxy)tetradecane
Thsaurus map：
Thesaurus Map

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