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aldosterone hemiacetal

Properties

Image

Occurences in reactions

MNX_ID

MNXM726397

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

formula

C₂₁H₂₈O₅

charge

mass

360.19367

reference

chebi:30834

InChIKey

QUQBHBRVKLEOEI-UBWIUKTRSA-N

InChI

InChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21+/m0/s1

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3(C(O)O2)[C@@H](C(=O)CO)CC[C@@H]13

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:30834 chebi:30834	aldosterone hemiacetal 11beta,18-epoxy-18,21-dihydroxypregn-4-ene-3,20-dione 11beta,18-epoxy-18xi-hydroxypregn-4-ene-3,20-dione 11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione 18,11-hemiacetal of 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al 18xi,21-dihydroxy-11beta,18-epoxypregn-4-ene-3,20-dione 3,20-Diketo-11-beta,18-oxido-4-pregnene-18,21-diol aldosterone
kegg.compound:C18039 keggC:C18039	Aldosterone hemiacetal 11beta,18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione
seed.compound:cpd18022 seedM:cpd18022	Aldosterone hemiacetal 11beta,18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione 11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione
lipidmaps:LMST02030145 lipidmapsM:LMST02030145	Aldosterone hemiacetal 18,11-hemiacetal of 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al 18xi,21-dihydroxy-11beta,18-epoxypregn-4-ene-3,20-dione O5 ST 21:4
sabiork.compound:5798 sabiorkM:5798	Aldosterone 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
keggC:M_C18039 seedM:M_cpd18022	secondary/obsolete/fantasy identifier