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11beta,17alpha-dihydroxypregn-4-ene-3,20,21-trione

Properties

Image

Occurences in reactions

MNX_ID

MNXM146861

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₂₁H₂₈O₅

charge

mass

360.19367

reference

chebi:78595

InChIKey

JIELFMXLFHFDRT-VWUMJDOOSA-N

InChI

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

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78595 chebi:78595	11beta,17alpha-dihydroxypregn-4-ene-3,20,21-trione (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-al 11beta,17-dihydroxy-21-oxoprogesterone 11beta,17alpha-dihydroxypregn-4-en-3,20-dione-21-al 21-dehydrocortisol 4-pregnen-11beta,17alpha-diol-3,20-dione-21-al
SLM:000485384 slm:000485384	11beta,17alpha-dihydroxypregn-4-ene-3,20,21-trione
sabiork.compound:26664 sabiorkM:26664	21-Dehydrocortisol