Chem
J-GLOBAL ID:200907027886142957   Nikkaji number:J14.367G

Androcymbine

アンドロシンビン
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: C21H25NO5
Molecular formula furigana: C21-H25-N-O5
Molecular weight: 371.433
InChI: InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
InChI key: ABMMKLCVJJTPJD-LHSJRXKWSA-N
SMILES: COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(O)c(OC)c24)C3=CC1=O
Systematic name  (3):
  • [9α,13α,(-)]-5,6,8,14-テトラデヒドロ-3-ヒドロキシ-2,4,6-トリメトキシ-17-メチル-10a-ホモモルフィナン-7-オン
  • (1R,10S)-4-ヒドロキシ-3,5,14-トリメトキシ-18-メチル-18-アザテトラシクロ[8.5.3.01,11.02,7]オクタデカ-2,4,6,11,14-ペンタエン-13-オン
  • (1R,10S)-4-hydroxy-3,5,14-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
Other name (5):
  • アンドロシンビン
  • (-)-アンドロシンビン
  • Androcymbine
  • (-)-Androcymbine
  • [9α,13α,(-)]-5,6,8,14-Tetradehydro-3-hydroxy-2,4,6-trimethoxy-17-methyl-10a-homomorphinan-7-one
CAS registry number: 2115-98-2
KEGG COMPOUND: C10569
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