Hydrocortisone 21-Butyrate

cas: 6677-99-2 — see every product listed under this CAS number, including other names

Hydrocortisone 21-Butyrate (CAS 6677-99-2) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 5g, 10g. Offered by: Mikromol, Biosynth.

brandMikromol
catalog numberMM0188.01-0025
cas6677-99-2
size25mg
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Structural formula: {0} (CAS {1})

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate (CAS 6677-99-2) is a chemical compound with the molecular formula C25H36O6 and a molecular weight of 432.5 g/mol. IUPAC name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate. InChIKey: YZNQMPPBWQTLFJ-TUFAYURCSA-N.

Identity
Molecular formulaC25H36O6
Molecular weight432.5 g/mol
IUPAC name[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
InChIKeyYZNQMPPBWQTLFJ-TUFAYURCSA-N
SMILESCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O

Computed by PubChem (NCBI)

Synonyms: Hydrocortisone 21-butyrate, Hydrocortisone-21-butyrate, Isdinium, Ceneo, Stero To, 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-butyrate, HB(sub 21), hydrocortison-21-butyrat, orb1310773, orb3025471
Isomers (same molecular formula)
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-one C25H36O6
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one C25H36O6
[(1S,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H36O6
(3aR,5aR,6S)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde C25H36O6
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate C25H36O6
(1R,2R,5R,10R,14R,16R,17S,18R,21S)-17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde C25H36O6
(4R,9R,12R,13S,21R)-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-diene-18,19,20,22-tetrol C25H36O6
(3aS,5aS,6R)-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde C25H36O6
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoic acid C25H36O6
[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate C25H36O6

Also listed as

Hydrocortisone 21-Butyrate, >95% (HPLC) TRC CAS 6677-99-2