16alpha,17-Epoxy-11beta-hydroxypregn-4-ene-3,20-dione

cas: 3684-83-1 — see every product listed under this CAS number, including other names

16alpha,17-Epoxy-11beta-hydroxypregn-4-ene-3,20-dione (CAS 3684-83-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-E589730-100MG
cas3684-83-1
size100mg
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(1S,4S,6S,7S,9S,11R)-6-acetyl-9-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one (CAS 3684-83-1) is a chemical compound with the molecular formula C21H28O4 and a molecular weight of 344.4 g/mol. IUPAC name: (1S,4S,6S,7S,9S,11R)-6-acetyl-9-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one. InChIKey: XPOFTPYDSZJRKX-HQOYSMKASA-N.

Identity
Molecular formulaC21H28O4
Molecular weight344.4 g/mol
IUPAC name(1S,4S,6S,7S,9S,11R)-6-acetyl-9-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one
InChIKeyXPOFTPYDSZJRKX-HQOYSMKASA-N
SMILESCC(=O)[C@]12[C@@H](O1)CC3[C@@]2(C[C@@H](C4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C

Computed by PubChem (NCBI)

Synonyms: 16a,17-Epoxy-11b-hydroxypregn-4-ene-3,20-dione, (11ss,16a)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione, 16Alpha,17-epoxy-11beta-hydroxypregn-4-ene-3,20-dione
Related forms of this compound
6-acetyl-9-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one C21H28O4
Isomers (same molecular formula)
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H28O4
2-[(8S,9R,10R,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H28O4
(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C21H28O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid C21H28O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(7R,8S,9S,10S,13S,14S,17R)-17-ethynyl-10-hydroperoxy-17-hydroxy-7,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol C21H28O4
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione C21H28O4

Also listed as

16a,17-Epoxy-11b-hydroxypregn-4-ene-3,20-dione TRC CAS 3684-83-1