Chem
J-GLOBAL ID：201007069945038013   Nikkaji number：J2.785.203C

(3S)-3α-(Phenylthiocarbamoyloxy)-3-(1-chloro-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 ethylene acetal

(3S)-3α-(フェニルチオカルバモイルオキシ)-3-(1-クロロ-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-オンエチレンアセタール
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： C37H37ClN2O4S
Molecular formula furigana： C37-H37-CL-N2-O4-S
Molecular weight： 641.220
InChI： InChI=1S/C37H37ClN2O4S/c1-33-15-10-25-23-30-34(13-5-14-37(30)41-20-21-42-37)17-18-35(25,44-34)29(33)11-16-36(33,43-32(45)40-27-6-3-2-4-7-27)26-9-8-24-12-19-39-31(38)28(24)22-26/h2-4,6-10,12,19,22-23,29H,5,11,13-18,20-21H2,1H3,(H,40,45)/t29-,33+,34+,35-,36-/m1/s1
InChI key： DPSFCPVWIKYVBQ-VISHTGOGSA-N
SMILES： C[C@]12CC=C3C=C4[C@@]5(CC[C@]3(O5)[C@@H]1CC[C@@]2(OC(=S)Nc1ccccc1)c1ccc2ccnc(Cl)c2c1)CCCC14OCCO1
Systematic name  (3)：
  • (3S)-3α-(フェニルチオカルバモイルオキシ)-3-(1-クロロ-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-オンエチレンアセタール
  • 1-[(1'S,2'R,5'S,6'S,16'S)-5'-(1-クロロイソキノリン-7-イル)-6'-メチル-19'-オキサスピロ[1,3-ジオキソラン-2,12'-ペンタシクロ[14.2.1.01,9.02,6.011,16]ノナデカン]-8',10'-ジエン-5'-イルオキシ]-N-フェニルメタンチオアミド
  • 1-[(1'S,2'R,5'S,6'S,16'S)-5'-(1-chloroisoquinolin-7-yl)-6'-methyl-19'-oxaspiro[1,3-dioxolane-2,12'-pentacyclo[14.2.1.01,9.02,6.011,16]nonadecane]-8',10'-dien-5'-yloxy]-N-phenylmethanethioamide
Other name (1)：
  • (3S)-3α-(Phenylthiocarbamoyloxy)-3-(1-chloro-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 ethylene acetal
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