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Substance Name: NSC72298
RN: 7148-96-1
InChIKey: PDWGBWJIJZYLQQ-IIJNRFJRSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C27-H34-O5

Molecular Weight

  • 438.5606
 
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Names and Synonyms

Results Name

  • NSC72298

Synonyms

  • 16-alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone
  • NSC 72298

Systematic Name

  • Pregn-4-ene-3,20-dione, 16-alpha,17-dihydroxy-, cyclic acetal with 2-furyl methyl ketone

Registry Numbers

CAS Registry Number

  • 7148-96-1

System Generated Number

  • 0007148961

Structure Descriptors

InChI

1S/C27H34O5/c1-16(28)27-23(31-26(4,32-27)22-6-5-13-30-22)15-21-19-8-7-17-14-18(29)9-11-24(17,2)20(19)10-12-25(21,27)3/h5-6,13-14,19-21,23H,7-12,15H2,1-4H3/t19-,20+,21+,23-,24+,25+,26?,27-/m1/s1

InChIKey

PDWGBWJIJZYLQQ-IIJNRFJRSA-N

Smiles

CC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(O2)(C)c6ccco6