Chem
J-GLOBAL ID：200907057126784181   Nikkaji number：J2.445.398G

(3R,4R,5R,6R,9S,10R)-1,10-Bis(4-bromophenylcarbamoyloxy)-3,5-(isopropylidenedioxy)-4,6-dimethyl-9-methoxyundecane

(3R,4R,5R,6R,9S,10R)-1,10-ビス(4-ブロモフェニルカルバモイルオキシ)-3,5-(イソプロピリデンジオキシ)-4,6-ジメチル-9-メトキシウンデカン
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： C31H42Br2N2O7
Molecular formula furigana： C31-H42-BR2-N2-O7
Molecular weight： 714.492
InChI： InChI=1S/C31H42Br2N2O7/c1-19(7-16-27(38-6)21(3)40-30(37)35-25-14-10-23(33)11-15-25)28-20(2)26(41-31(4,5)42-28)17-18-39-29(36)34-24-12-8-22(32)9-13-24/h8-15,19-21,26-28H,7,16-18H2,1-6H3,(H,34,36)(H,35,37)/t19-,20-,21-,26-,27+,28-/m1/s1
InChI key： ASBZAGRGRMSPQK-QSIPDXOZSA-N
SMILES： CO[C@@H](CC[C@@H](C)[C@H]1OC(C)(C)O[C@H](CCOC(=O)Nc2ccc(Br)cc2)[C@H]1C)[C@@H](C)OC(=O)Nc1ccc(Br)cc1
Systematic name  (3)：
  • (3R,4R,5R,6R,9S,10R)-1,10-ビス(4-ブロモフェニルカルバモイルオキシ)-3,5-(イソプロピリデンジオキシ)-4,6-ジメチル-9-メトキシウンデカン
  • 2-[(4R,5R,6R)-6-[(2R,5S,6R)-6-{[(4-ブロモフェニル)カルバモイル]オキシ}-5-メトキシヘプタン-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-[(4R,5R,6R)-6-[(2R,5S,6R)-6-{[(4-bromophenyl)carbamoyl]oxy}-5-methoxyheptan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl N-(4-bromophenyl)carbamate
Other name (1)：
  • (3R,4R,5R,6R,9S,10R)-1,10-Bis(4-bromophenylcarbamoyloxy)-3,5-(isopropylidenedioxy)-4,6-dimethyl-9-methoxyundecane
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