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Substance Name: 21-Dehydrocortisol
RN: 14760-49-7
UNII: XT2H26EPI2
InChIKey: JIELFMXLFHFDRT-VWUMJDOOSA-N

Molecular Formula

  • C21-H28-O5

Molecular Weight

  • 360.4472
 
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Names and Synonyms

Name of Substance

  • 21-Dehydrocortisol

Synonyms

  • NSC 15472
  • UNII-XT2H26EPI2

Systematic Name

  • Pregn-4-en-21-al, 11,17-dihydroxy-3,20-dioxo-, (11beta)-

Registry Numbers

CAS Registry Number

  • 14760-49-7

FDA UNII

  • XT2H26EPI2

System Generated Number

  • 0014760497

Structure Descriptors

InChI

1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,11,14-16,18,24,26H,3-8,10H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

InChIKey

JIELFMXLFHFDRT-VWUMJDOOSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C=O)O)C)O