Chem
J-GLOBAL ID：200907015981112323   Nikkaji number：J964.437G

Crinine

クリニン
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： C16H17NO3
Molecular formula furigana： C16-H17-N-O3
Molecular weight： 271.316
InChI： InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1
InChI key： RPAORVSEYNOMBR-IUIKQTSFSA-N
SMILES： O[C@@H]1C[C@H]2N3CC[C@]2(C=C1)c1cc2OCOc2cc1C3
Systematic name  (4)：
  • 1,2-ジデヒドロクリナン-3α-オール
  • (3R)-1,2-ジデヒドロクリナン-3-オール
  • (1S,13R,15R)-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-15-オール
  • (1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Other name (14)：
  • 1,2-Didehydrocrinan-3α-ol
  • (3R)-1,2-Didehydrocrinan-3-ol
  • クリニン
  • Crinine
  • クリニジン
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CAS registry number： 510-67-8
KEGG COMPOUND： C12162
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