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Substance Name: 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)
RN: 123376-04-5
InChIKey: PFDJFFZMFSJHKT-XCUVIRGDSA-N

Molecular Formula

  • C24-H34-O2-S2

Molecular Weight

  • 418.6626
 
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Names and Synonyms

Name of Substance

  • 3,20-Dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)

Synonym

  • DCCEM

Systematic Name

  • Pregn-4-ene-18-carboxaldehyde, 3,20-dioxo-, cyclic 18-(1,2-ethanediyl mercaptal)

Registry Numbers

CAS Registry Number

  • 123376-04-5

System Generated Number

  • 0123376045

Structure Descriptors

InChI

1S/C24H34O2S2/c1-15(25)19-5-6-21-18-4-3-16-13-17(26)7-9-23(16,2)20(18)8-10-24(19,21)14-22-27-11-12-28-22/h13,18-22H,3-12,14H2,1-2H3/t18-,19-,20+,21+,23+,24+/m1/s1

InChIKey

PFDJFFZMFSJHKT-XCUVIRGDSA-N

Smiles

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CC5SCCS5