Chem
J-GLOBAL ID：200907084430722890   Nikkaji number：J2.769.775E

Corpaine

コルパイン
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： C20H19NO6
Molecular formula furigana： C20-H19-N-O6
Molecular weight： 369.373
InChI： InChI=1S/C20H19NO6/c1-21-6-5-10-7-15(25-2)13(22)8-12(10)20(21)18(23)11-3-4-14-17(27-9-26-14)16(11)19(20)24/h3-4,7-8,19,22,24H,5-6,9H2,1-2H3/t19-,20+/m1/s1
InChI key： NVOAXRBBRLDXSC-UXHICEINSA-N
SMILES： COc1cc2CCN(C)[C@@]3([C@H](O)c4c5OCOc5ccc4C3=O)c2cc1O
Systematic name  (3)：
  • (7R,8R)-3′,4′-ジヒドロ-7′,8-ジヒドロキシ-6′-メトキシ-2′-メチルスピロ[7H-インデノ[4,5-d]-1,3-ジオキソール-7,1′(2′H)-イソキノリン]-6(8H)-オン
  • (7R,8R)-7',8-ジヒドロキシ-6'-メトキシ-2'-メチル-3',4',6,8-テトラヒドロ-2H,2'H-スピロ[インデノ[4,5-d][1,3]ジオキソール-7,1'-イソキノリン]-6-オン
  • (7R,8R)-7',8-dihydroxy-6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-6-one
Other name (3)：
  • (7R,8R)-3′,4′-Dihydro-7′,8-dihydroxy-6′-methoxy-2′-methylspiro[7H-indeno[4,5-d]-1,3-dioxole-7,1′(2′H)-isoquinoline]-6(8H)-one
  • Corpaine
  • コルパイン
CAS registry number： 31002-20-7
KEGG COMPOUND： C09393
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