Chem
J-GLOBAL ID：200907046247039457   Nikkaji number：J2.137.876C

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： C27H45NO4
Molecular formula furigana： C27-H45-N-O4
Molecular weight： 447.660
InChI： InChI=1S/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChI key： FBKQAVWTYDQPAB-HBDLFPIVSA-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]2O
Systematic name  (3)：
  • (22S,25α)-5α-スピロソラン-3β,23β,27-トリオール
  • (1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-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',16-ジオール
  • (1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-3',16-diol
Other name (3)：
  • (22S,25α)-5α-Spirosolane-3β,23β,27-triol
  • エスクレオゲニンA
  • Esculeogenin A
Thsaurus map：
Thesaurus Map

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