Chem
J-GLOBAL ID：200907016448045564   Nikkaji number：J1.238.122K

(+)-Hydrastine

(+)-ヒドラスチン
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： C21H21NO6
Molecular formula furigana： C21-H21-N-O6
Molecular weight： 383.400
InChI： InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1
InChI key： JZUTXVTYJDCMDU-RBUKOAKNSA-N
SMILES： COc1ccc2[C@@H](OC(=O)c2c1OC)[C@H]1N(C)CCc2cc3OCOc3cc12
Systematic name  (4)：
  • (3R)-6,7-ジメトキシ-3-[[(1S)-1,2,3,4-テトラヒドロ-2-メチル6,7-(メチレンジオキシ)イソキノリン]-1-イル]イソベンゾフラン-1(3H)-オン
  • (3R)-6,7-ジメトキシ-3-[(5S)-6-メチル-5,6,7,8-テトラヒドロ-1,3-ジオキソロ[4,5-g]イソキノリン-5-イル]イソベンゾフラン-1(3H)-オン
  • (1S)-1β-[3(1H)-オキソ-4,5-ジメトキシイソベンゾフラン-1α-イル]-1,2,3,4-テトラヒドロ-2-メチル6,7-(メチレンビスオキシ)イソキノリン
  • (3R)-6,7-ジメトキシ-3-[(5S)-5,6,7,8-テトラヒドロ-6-メチル-1,3-ジオキソロ[4,5-g]イソキノリン-5-イル]-1(3H)-イソベンゾフラノン
Other name (8)：
  • (3R)-6,7-Dimethoxy-3-[[(1S)-1,2,3,4-tetrahydro-2-methyl 6,7-(methylenedioxy)isoquinoline]-1-yl]isobenzofuran-1(3H)-one
  • (3R)-6,7-Dimethoxy-3-[(5S)-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-yl]isobenzofuran-1(3H)-one
  • (+)-β-ヒドラスチン
  • (+)-β-Hydrastine
  • (1S)-1β-[3(1H)-Oxo-4,5-dimethoxyisobenzofuran-1α-yl]-1,2,3,4-tetrahydro-2-methyl 6,7-(methylenebisoxy)isoquinoline
Show all
KEGG COMPOUND： C13799
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM