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Substance Name: Nicocortonide acetate
RN: 28202-60-0
InChIKey: AKOXWWDBTJVZFQ-NZIBIKPMSA-N

Note

  • 21-acetate corresponding to nicortonide.

Molecular Formula

  • C27-H36-O7

Molecular Weight

  • 472.5744
 
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Names and Synonyms

Name of Substance

  • Nicocortonide acetate

Synonym

  • Crotonaldehyde, cyclic 14,17-acetal with 11beta,14,17,21-tetrahydroxypregn-4-ene-3,20-dione 21-acetate

Systematic Names

  • Pregn-4-ene-3,20-dione, 11beta,14,17,21-tetrahydroxy-, cyclic 14,17-acetal with crotonaldehyde, 21-acetate
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-14,17-(2-butenylidenebis(oxy))-11-hydroxy-, (11beta)-

Registry Numbers

CAS Registry Number

  • 28202-60-0

System Generated Number

  • 0028202600

Structure Descriptors

InChI

1S/C27H36O7/c1-5-6-22-33-26-11-12-27(34-22,21(31)15-32-16(2)28)25(26,4)14-20(30)23-19(26)8-7-17-13-18(29)9-10-24(17,23)3/h5-6,13,19-20,22-23,30H,7-12,14-15H2,1-4H3/b6-5+/t19-,20+,22?,23-,24+,25+,26?,27+/m1/s1

InChIKey

AKOXWWDBTJVZFQ-NZIBIKPMSA-N

Smiles

C/C=C/C1O[C@@]2(CCC3([C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)O1)C(=O)COC(=O)C