Chem
J-GLOBAL ID：200907004148063856   Nikkaji number：J53.044A

Nemorensine

ネモレンシン
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： C18H27NO5
Molecular formula furigana： C18-H27-N-O5
Molecular weight： 337.416
InChI： InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11-,12-,13-,15-,17-,18-/m1/s1
InChI key： DNEINKNDPRUHLP-XKWDWFTLSA-N
SMILES： C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34
Systematic name  (3)：
  • (12R,15R)-12,15-エポキシ-1α,2,15,20-テトラヒドロ-16a-ホモ-21-ノルセネシオナン-11,16a-ジオン
  • (1R,5R,7R,8R,12S,18R)-5,7,8-トリメチル-2,10,19-トリオキサ-15-アザテトラシクロ[10.5.1.15,8.015,18]ノナデカン-3,9-ジオン
  • (1R,5R,7R,8R,12S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadecane-3,9-dione
Other name (3)：
  • ネモレンシン
  • Nemorensine
  • (12R,15R)-12,15-Epoxy-1α,2,15,20-tetrahydro-16a-homo-21-norsenecionan-11,16a-dione
CAS registry number： 50906-96-2
KEGG COMPOUND： C10353
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