3Beta-Tetrahydrocortisol 3,21-Diacetate

cas: 6820-57-1 — see every product listed under this CAS number, including other names

3Beta-Tetrahydrocortisol 3,21-Diacetate (CAS 6820-57-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-T293355-100MG
cas6820-57-1
size100mg
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Structural formula: {0} (CAS {1})

[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate (CAS 6820-57-1) is a chemical compound with the molecular formula C25H38O7 and a molecular weight of 450.6 g/mol. IUPAC name: [2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. InChIKey: QGAODEALOJFHBD-NHOVEWACSA-N.

Identity
Molecular formulaC25H38O7
Molecular weight450.6 g/mol
IUPAC name[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChIKeyQGAODEALOJFHBD-NHOVEWACSA-N
SMILESCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: 3beta-Tetrahydrocortisol 3,21-Diacetate, 3b-Tetrahydrocortisol 3,21-Diacetate, 3beta,11beta,17,21-tetrahydroxy-5beta-pregnan-20-one 3,21-Diacetate, 11,17-Dihydroxy-20-oxo-3alpha,5beta,11beta-pregnane-3,21-diyl diacetate
Isomers (same molecular formula)
[(1S,3S,7S,8S,8aR)-3-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H38O7
[(1S,6S,7R,8S,8aR)-6-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H38O7
[(1S,3R,7S,8S,8aR)-3-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H38O7
(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10,13-dimethylspiro[1,2,4,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11,17-diol C25H38O7
(8'S,9'R,10'R,11'R,13'S,14'R,17'S)-17'-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11',17'-diol C25H38O7
(3Z,5E,8S,9E,11Z,14S,16R,17E,19R,20S,24S)-8,14,16,20-tetrahydroxy-19-methoxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17-pentaen-2-one C25H38O7