Chem
J-GLOBAL ID：200907069256333490   Nikkaji number：J643.641B

(23R)-23-Acetoxytomatidine

(23R)-23-アセトキシトマチジン
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： C29H47NO4
Molecular formula furigana： C29-H47-N-O4
Molecular weight： 473.698
InChI： InChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3/t16-,17-,19-,20-,21+,22-,23-,24-,25+,26-,27-,28-,29?/m0/s1
InChI key： HQJSCXYJQVACQR-SNIIYXRMSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)OC21NC[C@@H](C)C[C@H]2OC(=O)C
Systematic name  (3)：
  • (23R,25S)-23-アセトキシ-5α-スピロソラン-3β-オール
  • (1R,2S,3'R,4S,5'S,7S,8R,9S,12S,13S,16S,18S)-16-ヒドロキシ-5',7,9,13-テトラメチル-5-オキサスピロ[ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン-6,2'-ピペリジン]-3'-イル アセタート
  • (1R,2S,3'R,4S,5'S,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-3'-yl acetate
Other name (2)：
  • (23R)-23-アセトキシトマチジン
  • (23R)-23-Acetoxytomatidine
Thsaurus map：
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