Chem
J-GLOBAL ID：200907063522473210   Nikkaji number：J1.990.485G

Esculeogenin a

エスクレオゲニンa
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： C29H47NO5
Molecular formula furigana： C29-H47-N-O5
Molecular weight： 489.697
InChI： InChI=1S/C29H47NO5/c1-16-26-24(35-29(16)25(34-17(2)32)11-18(15-31)14-30-29)13-23-21-6-5-19-12-20(33)7-9-27(19,3)22(21)8-10-28(23,26)4/h16,18-26,30-31,33H,5-15H2,1-4H3/t16-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
InChI key： BEHHPJFHCKOWDI-GFBNKFBXSA-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)O[C@]21NC[C@@H](CO)C[C@@H]2OC(=O)C
Systematic name  (3)：
  • (22S,25S)-5α-スピロソラン-3β,23β,27-トリオール23-アセタート
  • (1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-16-ヒドロキシ-5'-(ヒドロキシメチル)-7,9,13-トリメチル-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'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5'-(hydroxymethyl)-7,9,13-trimethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-3'-yl acetate
Other name (3)：
  • (22S,25S)-5α-Spirosolane-3β,23β,27-triol 23-acetate
  • エスクレオゲニンa
  • Esculeogenin a
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM