Chem
J-GLOBAL ID：200907017044608901   Nikkaji number：J2.738.833G

Muironolide A

ムイロノリド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： C27H33Cl4NO5
Molecular formula furigana： C27-H33-CL4-N-O5
Molecular weight： 593.360
InChI： InChI=1S/C27H33Cl4NO5/c1-14-4-8-22(27(29,30)31)37-24(34)12-21(17-11-20(17)28)36-23(33)9-7-18-16(15(2)10-14)5-6-19-25(35)32-13-26(18,19)3/h6-7,9-10,14,16-18,20-22H,4-5,8,11-13H2,1-3H3,(H,32,35)/b9-7+,15-10+/t14-,16-,17-,18-,20-,21+,22-,26-/m1/s1
InChI key： DVSMDAZIABCDQH-DULMNHEISA-N
SMILES： C[C@@H]1CC[C@@H](OC(=O)C[C@H](OC(=O)/C=C/[C@@H]2[C@H](CC=C3C(=O)NC[C@]23C)/C(=C/1)/C)[C@@H]1C[C@H]1Cl)C(Cl)(Cl)Cl
Systematic name  (3)：
  • (1R,2E,6S,10R,13R,14E,16S,23R)-6-[(1S,2R)-2-クロロシクロプロピル]-10-(トリクロロメチル)-13,15,23-トリメチル-5,9-ジオキサ-21-アザトリシクロ[14.7.0.019,23]トリコサン-2,14,18-トリエン-4,8,20-トリオン
  • (5aS,8R,11R,15S,19aR,19bR)-15-[(1S,2R)-2-クロロシクロプロピル]-6,8,19b-トリメチル-11-(トリクロロメチル)-1H,2H,3H,5H,5aH,8H,9H,10H,11H,13H,14H,15H,17H,19aH,19bH-1,5-ジオキサシクロヘキサデカ[9,10-e]イソインドール-3,13,17-トリオン
  • (5aS,8R,11R,15S,19aR,19bR)-15-[(1S,2R)-2-chlorocyclopropyl]-6,8,19b-trimethyl-11-(trichloromethyl)-1H,2H,3H,5H,5aH,8H,9H,10H,11H,13H,14H,15H,17H,19aH,19bH-1,5-dioxacyclohexadeca[9,10-e]isoindole-3,13,17-trione
Other name (3)：
  • (1R,2E,6S,10R,13R,14E,16S,23R)-6-[(1S,2R)-2-Chlorocyclopropyl]-10-(trichloromethyl)-13,15,23-trimethyl-5,9-dioxa-21-azatricyclo[14.7.0.019,23]tricosane-2,14,18-triene-4,8,20-trione
  • ムイロノリドA
  • Muironolide A
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