Chem
J-GLOBAL ID：200907075444645768   Nikkaji number：J1.355.882E

Sarsasapogenin p-bromobenzoate

サルササポゲニンp-ブロモベンゾアート
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： C34H47BrO4
Molecular formula furigana： C34-H47-BR-O4
Molecular weight： 599.650
InChI： InChI=1S/C34H47BrO4/c1-20-11-16-34(37-19-20)21(2)30-29(39-34)18-28-26-10-7-23-17-25(38-31(36)22-5-8-24(35)9-6-22)12-14-32(23,3)27(26)13-15-33(28,30)4/h5-6,8-9,20-21,23,25-30H,7,10-19H2,1-4H3/t20-,21-,23+,25-,26+,27-,28-,29-,30-,32-,33-,34+/m0/s1
InChI key： BKBOZCMQOBXQRJ-UVMBOQHJSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)OC(=O)c2ccc(Br)cc2)O[C@@]21CC[C@H](C)CO2
Systematic name  (3)：
  • (25S)-5β-スピロスタン-3β-オール4-ブロモベンゾアート
  • (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-16'-イル 4-ブロモベンゾアート
  • (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-16'-yl 4-bromobenzoate
Other name (3)：
  • (25S)-5β-Spirostane-3β-ol 4-bromobenzoate
  • サルササポゲニンp-ブロモベンゾアート
  • Sarsasapogenin p-bromobenzoate
Thsaurus map：
Thesaurus Map

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