17Alpha-Acetoxy Pregnenolone

cas: 2381-45-5 — see every product listed under this CAS number, including other names

17Alpha-Acetoxy Pregnenolone (CAS 2381-45-5) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 1g. Offered by: TRC.

brandTRC
catalog numberTRC-A167680-100MG
cas2381-45-5
size100mg
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Structural formula: {0} (CAS {1})

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate (CAS 2381-45-5) is a chemical compound with the molecular formula C23H34O4 and a molecular weight of 374.5 g/mol. IUPAC name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate. InChIKey: KRBMZSYRIJAAMS-KIYFCUGLSA-N.

Identity
Molecular formulaC23H34O4
Molecular weight374.5 g/mol
IUPAC name[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
InChIKeyKRBMZSYRIJAAMS-KIYFCUGLSA-N
SMILESCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxy-20-oxo-5-pregnen-17alpha-yl acetate, (3beta)-17-(Acetyloxy)-3-hydroxypregn-5-en-20-one, 17a-Acetoxy Pregnenolone, 17?-Acetoxy Pregnenolone, 3beta-Hydroxy-20-oxopregn-5-en-17-yl acetate, 3b,17-Dihydroxypregn-5-en-20-one 17-acetate, (3b)-17-(Acetyloxy)-3-hydroxypregn-5-en-20-one, (3I(2))-17-(Acetyloxy)-3-hydroxypregn-5-en-20-one
Isomers (same molecular formula)
3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-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 C23H34O4
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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 C23H34O4
(3aS,9aS,9bS)-3a-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione C23H34O4
(3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid C23H34O4
[(1R)-1-[(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]ethyl] acetate C23H34O4
[(8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H34O4
(1R,2S,4R,6S,7S,10S,11R,14S)-7,11-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-ol C23H34O4
10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol C23H34O4
[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H34O4
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H34O4

Also listed as

17a-Acetoxy pregnenolone Biosynth CAS 2381-45-5