Chem
J-GLOBAL ID：200907040517005551   Nikkaji number：J22.568A

Crinamine

クリナミン
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： C17H19NO4
Molecular formula furigana： C17-H19-N-O4
Molecular weight： 301.342
InChI： InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15-,16-,17-/m0/s1
InChI key： YGPRSGKVLATIHT-SPOWBLRKSA-N
SMILES： CO[C@@H]1C[C@@H]2N3C[C@H](O)[C@@]2(C=C1)c1cc2OCOc2cc1C3
Systematic name  (3)：
  • [5α,11R,13β,19α]-1,2-ジデヒドロ-3α-メトキシクリナン-11-オール
  • (1S,13S,15R,18R)-15-メトキシ-5,7-ジオキサ-12-アザペンタシクロ[10.5.2.01,13.02,10.04,8]ノナデカ-2,4(8),9,16-テトラエン-18-オール
  • (1S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
Other name (5)：
  • クリナミン
  • (+)-クリナミン
  • Crinamine
  • (+)-Crinamine
  • [5α,11R,13β,19α]-1,2-Didehydro-3α-methoxycrinan-11-ol
CAS registry number： 639-41-8
KEGG COMPOUND： C08525
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