Chem
J-GLOBAL ID：200907002980519832   Nikkaji number：J2.640.552A

17β-(7-Isoquinolyl)-5,8α-epoxy-9,10-seco-9,19-cyclo-5α-androsta-10(19),9(11)-diene-1-one

17β-(7-イソキノリル)-5,8α-エポキシ-9,10-セコ-9,19-シクロ-5α-アンドロスタ-10(19),9(11)-ジエン-1-オン
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： C28H29NO2
Molecular formula furigana： C28-H29-N-O2
Molecular weight： 411.545
InChI： InChI=1S/C28H29NO2/c1-26-11-8-21-16-23-24(30)3-2-10-27(23)12-13-28(21,31-27)25(26)7-6-22(26)19-5-4-18-9-14-29-17-20(18)15-19/h4-5,8-9,14-17,22,25H,2-3,6-7,10-13H2,1H3/t22-,25-,26-,27+,28-/m1/s1
InChI key： GWJYGYLKFARWJA-PVBXUAPSSA-N
SMILES： C[C@]12CC=C3C=C4C(=O)CCC[C@@]54CC[C@]3(O5)[C@@H]1CC[C@@H]2c1ccc2ccncc2c1
Systematic name  (5)：
  • 17β-(7-イソキノリニル)-5,8α-エポキシ-9,10-セコ-9,19-シクロ-5α-アンドロスタ-10(19),9(11)-ジエン-1-オン
  • 17β-(7-イソキノリル)-5,8α-エポキシ-9,10-セコ-9,19-シクロ-5α-アンドロスタ-10(19),9(11)-ジエン-1-オン
  • (3S)-3α-(7-イソキノリニル)-3aα-メチル-10aα,11aα-エタノ-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-ドデカヒドロ-11-オキサ-11H-シクロペンタ[a]アントラセン-7-オン
  • (1S,2R,5S,6R,16S)-5-(イソキノリン-7-イル)-6-メチル-19-オキサペンタシクロ[14.2.1.01,9.02,6.011,16]ノナデカ-8,10-ジエン-12-オン
  • (1S,2R,5S,6R,16S)-5-(isoquinolin-7-yl)-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-12-one
Other name (3)：
  • 17β-(7-Isoquinolinyl)-5,8α-epoxy-9,10-seco-9,19-cyclo-5α-androsta-10(19),9(11)-diene-1-one
  • 17β-(7-Isoquinolyl)-5,8α-epoxy-9,10-seco-9,19-cyclo-5α-androsta-10(19),9(11)-diene-1-one
  • (3S)-3α-(7-Isoquinolinyl)-3aα-methyl-10aα,11aα-ethano-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-dodecahydro-11-oxa-11H-cyclopenta[a]anthracene-7-one
Thsaurus map：
Thesaurus Map

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