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Substance Name: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate 17-valerate
RN: 81456-46-4
InChIKey: YHLNSTMFAGIHSR-SLPNHVECSA-N

Molecular Formula

  • C28-H40-O7

Molecular Weight

  • 488.617
 
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Names and Synonyms

Synonym

  • EINECS 279-764-4

Systematic Names

  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate 17-valerate
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-((1-oxopentyl)oxy)-, (11beta)-

Registry Numbers

CAS Registry Number

  • 81456-46-4

System Generated Number

  • 0081456464

Structure Descriptors

InChI

1S/C28H40O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h14,20-22,25,31H,5-13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1

InChIKey

YHLNSTMFAGIHSR-SLPNHVECSA-N

Smiles

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