Chem
J-GLOBAL ID：200907074866078096   Nikkaji number：J2.726.057H

17-epi-Cortistatin A

17-epi-コルチスタチンA
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： C30H36N2O3
Molecular formula furigana： C30-H36-N2-O3
Molecular weight： 472.629
InChI： InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24-,25+,26+,27+,28+,29+,30+/m0/s1
InChI key： KSGZCKSNTAJOJS-DXXWSSADSA-N
SMILES： CN(C)[C@H]1C[C@@]23CC[C@]4(O2)[C@@H]2CC[C@@H](c5ccc6ccncc6c5)[C@@]2(C)CC=C4C=C3[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3α-(ジメチルアミノ)-17α-(イソキノリン-7-イル)-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-1α,2β-ジオール
  • (1S,2R,5R,6R,12R,13R,14S,16R)-14-(ジメチルアミノ)-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-12,13-ジオール
  • (1S,2R,5R,6R,12R,13R,14S,16R)-14-(dimethylamino)-5-(isoquinolin-7-yl)-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-12,13-diol
Other name (3)：
  • 3α-(Dimethylamino)-17α-(isoquinoline-7-yl)-5,8α-epoxy-9,10-seco-9,19-cyclo-5α-androsta-10(19),9(11)-diene-1α,2β-diol
  • 17-epi-コルチスタチンA
  • 17-epi-Cortistatin A
Thsaurus map：
Thesaurus Map

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