Chem
J-GLOBAL ID：200907078602386820   Nikkaji number：J2.445.399E

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

(3R,4R,5R,6R,9S,10S,11R,12S)-1,4:1,6-ジエポキシ-3,5,9,11-テトラメチル-10,12-(イソプロピリデンジオキシ)-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： C28H42BrNO6
Molecular formula furigana： C28-H42-BR-N-O6
Molecular weight： 568.549
InChI： InChI=1S/C28H42BrNO6/c1-16(7-12-22-18(3)25-17(2)15-24(33-22)34-25)26-19(4)23(35-28(5,6)36-26)13-14-32-27(31)30-21-10-8-20(29)9-11-21/h8-11,16-19,22-26H,7,12-15H2,1-6H3,(H,30,31)/t16-,17+,18+,19+,22+,23-,24?,25+,26-/m0/s1
InChI key： VFKMMLBJJCZMHX-DMOSJSCPSA-N
SMILES： C[C@@H](CC[C@H]1OC2C[C@@H](C)[C@@H](O2)[C@@H]1C)[C@@H]1OC(C)(C)O[C@@H](CCOC(=O)Nc2ccc(Br)cc2)[C@H]1C
Systematic name  (3)：
  • (3R,4R,5R,6R,9S,10S,11R,12S)-1,4:1,6-ジエポキシ-3,5,9,11-テトラメチル-10,12-(イソプロピリデンジオキシ)-14-(4-ブロモフェニルカルバモイルオキシ)テトラデカン
  • 2-[(4S,5R,6S)-6-[(2S)-4-[(3R,4R,5R,6R)-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]ブタン-2-イル]-2,2,5-トリメチル-1,3-ジオキサン-4-イル]エチル N-(4-ブロモフェニル)カルバマート
  • 2-[(4S,5R,6S)-6-[(2S)-4-[(3R,4R,5R,6R)-4,6-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]butan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl N-(4-bromophenyl)carbamate
Other name (1)：
  • (3R,4R,5R,6R,9S,10S,11R,12S)-1,4:1,6-Diepoxy-3,5,9,11-tetramethyl-10,12-(isopropylidenedioxy)-14-(4-bromophenylcarbamoyloxy)tetradecane
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