Chem
J-GLOBAL ID：200907030196464014   Nikkaji number：J643.912H

5α-Tomatidan-3-one

5α-トマチダン-3-オン
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： C27H43NO2
Molecular formula furigana： C27-H43-N-O2
Molecular weight： 413.646
InChI： InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChI key： VCYNHQOAZQMPOJ-TZNORDHQSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]21CC[C@H](C)CN2
Systematic name  (3)：
  • (22S,25S)-5α-スピロソラン-3-オン
  • (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,18S)-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]-16-オン
  • (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-16-one
Other name (2)：
  • 5α-トマチダン-3-オン
  • 5α-Tomatidan-3-one
Thsaurus map：
Thesaurus Map

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