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Substance Name: NSC 108412
RN: 520-84-3
InChIKey: RORUGVXGZMMYON-UJXAPRPESA-N

Molecular Formula

  • C21-H30-O6

Molecular Weight

  • 378.462
 
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Names and Synonyms

Results Name

  • NSC 108412

Synonym

  • NSC 108412

Systematic Name

  • Pregn-4-ene-3,20-dione, 2,11,17,21-tetrahydroxy-, (2alpha,11beta)-

Registry Numbers

CAS Registry Number

  • 520-84-3

System Generated Number

  • 0000520843

Structure Descriptors

InChI

1S/C21H30O6/c1-19-8-15(24)14(23)7-11(19)3-4-12-13-5-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1

InChIKey

RORUGVXGZMMYON-UJXAPRPESA-N

Smiles

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)[C@@H](C[C@]34C)O)O