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Substance Name: 1-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methyl-2-oxoethyl)-3-oxo-, methyl ester, (1R-(1alpha,4abeta,10aalpha))-
RN: 86547-19-5
InChIKey: WIBQINYAVSXJCA-RBNLYLICSA-N

Molecular Formula

  • C21-H24-Cl2-O4

Molecular Weight

  • 411.323
 
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Names and Synonyms

  • 1-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methyl-2-oxoethyl)-3-oxo-, methyl ester, (1R-(1alpha,4abeta,10aalpha))-

Registry Numbers

CAS Registry Number

  • 86547-19-5

System Generated Number

  • 0086547195

Structure Descriptors

InChI

1S/C21H24Cl2O4/c1-11(10-24)17-15(22)7-14-13(18(17)23)5-6-16-20(14,2)8-12(25)9-21(16,3)19(26)27-4/h7,10-11,16H,5-6,8-9H2,1-4H3/t11?,16-,20-,21-/m1/s1

InChIKey

WIBQINYAVSXJCA-RBNLYLICSA-N

Smiles

C1(=O)C[C@@](C)(C(=O)OC)[C@@H]2CCc3c([C@@]2(C)C1)cc(c(c3Cl)[C@@H](C)C=O)Cl