5Alpha-Dihydrocortisol 21-Acetate

cas: 4004-68-6 — see every product listed under this CAS number, including other names

5Alpha-Dihydrocortisol 21-Acetate (CAS 4004-68-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-D448855-10MG
cas4004-68-6
size10mg
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Structural formula: {0} (CAS {1})

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate (CAS 4004-68-6) is a chemical compound with the molecular formula C23H34O6 and a molecular weight of 406.5 g/mol. IUPAC name: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate. InChIKey: BWCPGWRDUCWIIR-UHFFFAOYSA-N.

Identity
Molecular formulaC23H34O6
Molecular weight406.5 g/mol
IUPAC name[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
InChIKeyBWCPGWRDUCWIIR-UHFFFAOYSA-N
SMILESCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4C3(CCC(=O)C4)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: 11,17-Dihydroxy-3,20-dioxopregnan-21-yl acetate, 5alpha-Dihydrocortisol 21-acetate, Hydrallostane 21-acetate, 5.alpha.-Pregnane-3, 11.beta.,17,21-trihydroxy-, 21-acetate, Pregnane-3, 21-(acetyloxy)-11,17-dihydroxy-, (5.alpha.,11.beta.)-
Related forms of this compound
[2-[(5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H34O6
Isomers (same molecular formula)
3-[(3S,5R,8R,9S,10S,12R,13S,14S,16S,17R)-3,12,14,16-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O6
[(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-(trideuteriomethyl)butanoate C23H34O6
[(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C23H34O6
[(1S,3R,7R,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (3R)-3-hydroxybutanoate C23H34O6
[(2R)-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-hydroxyethyl] acetate C23H34O6
1056-08-2 C23H34O6
[(1S,6S,7R,8S,8aR)-6-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C23H34O6
[(1S,6S,7R,8S,8aR)-6-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2-(trideuteriomethyl)butanoate C23H34O6
[2-[(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H34O6

Also listed as

5a-Dihydrocortisol 21-Acetate TRC CAS 4004-68-6