Products 3331-69-9

CAS 3331-69-9 is the registry number for Hydrocortisone impurity 3. Offered by: MedChemExpress. Available pack sizes: Get quote.

Hydrocortisone impurity 3
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

4-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid (CAS 3331-69-9) is a chemical compound with the molecular formula C25H34O7 and a molecular weight of 446.5 g/mol. IUPAC name: 4-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid. InChIKey: ZUSLTNVVLZIBMU-ZNWBHODBSA-N.

Identity
Molecular formulaC25H34O7
Molecular weight446.5 g/mol
IUPAC name4-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
InChIKeyZUSLTNVVLZIBMU-ZNWBHODBSA-N
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Cortexolone Impurity 4, Hydrocortisone Impurity N1, Hydrocortisone Impurity D (Na)
Isomers (same molecular formula)
ethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate C25H34O7
[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H34O7
[(8S,9S,10R,11S,13S,14S,16R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] butanoate C25H34O7
[2-[(8S,9S,10R,11S,13S,14S,17R)-11-acetyloxy-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H34O7
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6-(1-hydroxypropyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
(1S,2S,4R,8S,9S,11S,12S,13R,19S)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
(1S,2S,4R,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
[(2R)-2-acetyloxy-2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate C25H34O7
(1S,2S,4R,6S,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
(1S,2S,4R,6R,8S,9S,11S,12S,13R,19R)-11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C25H34O7
4-[2-[(8S,9S,10R,11S,13S,14S,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-oxoethoxy]-4-oxobutanoic acid C25H34O7
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate C25H34O7

Related products in this category

Balofloxacin (Standard) MedChemExpress CAS 127294-70-6
Lafutidine, 99.56% MedChemExpress CAS 118288-08-7
Lafutidine (Standard) MedChemExpress CAS 118288-08-7
Duloxetine, 99.92% MedChemExpress CAS 116539-59-4
Duloxetine (hydrochloride), 99.97% MedChemExpress CAS 136434-34-9
Duloxetine (hydrochloride) (Standard) MedChemExpress CAS 136434-34-9
(R)-Duloxetine MedChemExpress CAS 116539-60-7
(R)-Duloxetine (hydrochloride) MedChemExpress CAS 910138-96-4
(±)-Duloxetine (hydrochloride) MedChemExpress CAS 947316-47-4