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19-Oic-deoxycorticosterone

Properties

Image

Occurences in reactions

MNX_ID

MNXM33830

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

formula

C₂₁H₂₈O₅

charge

mass

360.19367

reference

chebi:174827

InChIKey

RUPOMAOZPOVHQZ-XYNCURNNSA-N

InChI

InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14-,15-,16-,17+,20-,21+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174827 chebi:174827	19-Oic-deoxycorticosterone (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
hmdb:HMDB0012613	19-Oic-deoxycorticosterone (2S,14S,15S)-14-(2-Hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylate (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid 19-Oic-11-deoxycorticosterone 19-Oic-21-hydroxy-4-pregnen-3,20-dione 19-Oic-DOC 21-Hydroxy-3,20-dioxopregn-4-en-19-Oate 21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid 21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid anion Deoxycorticosterone-19-oic
hmdb:HMDB12613	secondary/obsolete/fantasy identifier