(3a,5b)-3-(Acetyloxy)pregnan-20-one

cas: 1491-77-6 — see every product listed under this CAS number, including other names

(3a,5b)-3-(Acetyloxy)pregnan-20-one (CAS 1491-77-6) is a chemical reagent available from Chemat. Available pack sizes: 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-A187895-250MG
cas1491-77-6
size250mg
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Structural formula: {0} (CAS {1})

[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 1491-77-6) is a chemical compound with the molecular formula C23H36O3 and a molecular weight of 360.5 g/mol. IUPAC name: [(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate. InChIKey: GFHOQCXDABGYAL-LEQCJQSISA-N.

Identity
Molecular formulaC23H36O3
Molecular weight360.5 g/mol
IUPAC name[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKeyGFHOQCXDABGYAL-LEQCJQSISA-N
SMILESCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: (3a,5b)-3-(Acetyloxy)pregnan-20-one, 3alpha-Hydroxy-5beta-pregnan-20-one Acetate, 20-Oxopregnan-3-yl acetate #, 3alpha-Acetyloxy-5alpha-pregnan-20-one, (3alpha,5beta)-3-(Acetyloxy)pregnan-20-one, 5.beta.-Pregnan-20-one, 3.alpha.-hydroxy-, acetate, Pregnan-20-one, 3-(acetyloxy)-, (3.alpha.,5.beta.)-, GFHOQCXDABGYAL-LEQCJQSISA-N, 5beta-Pregnan-20-one, 3alpha-hydroxy-, acetate
Related forms of this compound
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H36O3
Isomers (same molecular formula)
1-[(3S,8S,9S,10R,13S,14S,17R)-16-ethoxy-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C23H36O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-4-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C23H36O3
[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate C23H36O3
[(3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate C23H36O3
oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate C23H36O3
[(3S,8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate C23H36O3

Also listed as

(3Alpha,5Beta)-3-(Acetyloxy)pregnan-20-one TRC CAS 1491-77-6