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4,5alpha-dihydrocortisone

Properties

Image

Occurences in reactions

MNX_ID

MNXM4354

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

formula

C₂₁H₃₀O₅

charge

mass

362.20932

reference

chebi:16372

InChIKey

YCLWEYIBFOLMEM-FZPGBCFJSA-N

InChI

InChI=1S/C21H30O5/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/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/m0/s1

SMILES

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16372 chebi:16372	4,5alpha-dihydrocortisone 17,21-dihydroxy-5alpha-pregnane-3,11,20-trione 4,5alpha-Dihydrocortisone
kegg.compound:C03588 keggC:C03588	4,5alpha-Dihydrocortisone
lipidmaps:LMST02030096 lipidmapsM:LMST02030096	4,5alpha-Dihydrocortisone 17,21-dihydroxy-5alpha-pregnane-3,11,20-trione 4,5alpha-Dihydrocortisone O5 ST 21:3
seed.compound:cpd02257 seedM:cpd02257	4,5alpha-Dihydrocortisone 4,5alpha-dihydrocortisone
metacyc.compound:CPD-286 metacycM:CPD-286	4,5alpha-dihydrocortisone
chebi:11926 chebi:1752 chebi:20276 keggC:M_C03588 seedM:M_cpd02257	secondary/obsolete/fantasy identifier