Chem
J-GLOBAL ID：200907096586187322   Nikkaji number：J690.536F

Hamayne

ハマイン
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： C16H17NO4
Molecular formula furigana： C16-H17-N-O4
Molecular weight： 287.315
InChI： InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14-,15-,16-/m0/s1
InChI key： KWAOMPWGIIXDPH-MVWHLILJSA-N
SMILES： O[C@H]1CN2Cc3cc4OCOc4cc3[C@@]31C=C[C@H](O)C[C@H]23
Systematic name  (3)：
  • (5α,11R,13β,19α)-1,2-ジデヒドロクリナン-3α,11-ジオール
  • (1S,13S,15R,18R)-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-15,18-ジオール
  • (1S,13S,15R,18R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,18-diol
Other name (3)：
  • ハマイン
  • Hamayne
  • (5α,11R,13β,19α)-1,2-Didehydrocrinan-3α,11-diol
CAS registry number： 61948-11-6
KEGG COMPOUND： C12164
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