3,17Beta-Diacetoxy-3,5-estradiene

cas: 4999-76-2 — see every product listed under this CAS number, including other names

3,17Beta-Diacetoxy-3,5-estradiene (CAS 4999-76-2) is a chemical reagent available from Chemat. Available pack sizes: 1g, 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-D327600-1G
cas4999-76-2
size1g
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Structural formula: {0} (CAS {1})

[(8R,9S,10R,13S,14S,17R)-3-acetyloxy-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate (CAS 4999-76-2) is a chemical compound with the molecular formula C22H30O4 and a molecular weight of 358.5 g/mol. IUPAC name: [(8R,9S,10R,13S,14S,17R)-3-acetyloxy-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate. InChIKey: GAIRDOKUNQTVPZ-PMHZBBCSSA-N.

Identity
Molecular formulaC22H30O4
Molecular weight358.5 g/mol
IUPAC name[(8R,9S,10R,13S,14S,17R)-3-acetyloxy-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
InChIKeyGAIRDOKUNQTVPZ-PMHZBBCSSA-N
SMILESCC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC(=O)C)C

Computed by PubChem (NCBI)

Synonyms: (17alpha)-Estra-3,5-diene-3,17-diyl diacetate, 3,17b-Diacetoxy-3,5-estradiene, 3,17?-Diacetoxy-3,5-estradiene, Estra-3,5-diene-3,17-diol, diacetate, 17alpha-Estra-3,5-diene-3,17-diyl diacetate
Isomers (same molecular formula)
(8R,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O4
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid C22H30O4
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid C22H30O4
1-[(8S,13S,14S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone C22H30O4
57905-07-4 C22H30O4
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate C22H30O4
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C22H30O4
(6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O4
(6R,8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O4
[(8R,9S,10R,13S,14S,17S)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H30O4
3-hydroxy-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-triene-4-carboxylic acid C22H30O4
4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene C22H30O4

Also listed as

3,17b-Diacetoxy-3,5-estradiene TRC CAS 4999-76-2