Methyl 2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

cas: 595-77-7 — see every product listed under this CAS number, including other names

Methyl 2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 595-77-7) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: TRC.

brandTRC
catalog numberTRC-M289475-1G
cas595-77-7
size1g
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purityNo data
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Structural formula: {0} (CAS {1})

Algestone is a C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17. It has a role as a progestin. It is a tertiary alpha-hydroxy ketone, a 16alpha-hydroxy steroid, a 17-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It derives from a hydride of a pregnane.

Source: ChEBI

Identity
Molecular formulaC21H30O4
Molecular weight346.5 g/mol
IUPAC name(8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
InChIKeyCXDWHYOBSJTRJU-SRWWVFQWSA-N
SMILESCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O

Computed by PubChem (NCBI)

Synonyms: ALGESTONE, Alphasone, 16alpha,17-Dihydroxypregn-4-ene-3,20-dione, Algestona, Algestonum, Pregn-4-ene-3,20-dione, 16,17-dihydroxy-, (16alpha)-, (16alpha)-16,17-dihydroxypregn-4-ene-3,20-dione, 16 alpha,17-Dihydroxypregn-4-ene-3,20-dione, Dihydroxyprogesterone, Algestone [INN]
Isomers (same molecular formula)
(9S,10S)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9,10-triol C21H30O4
[(1S,2S,4R,6S,8S,11R,12S,14R,16R,17S)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate C21H30O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H30O4
(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(5R,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione C21H30O4
3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one C21H30O4
[(3S,7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C21H30O4
[(6R,8R,9R,10S,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C21H30O4

Also listed as

Algestone Chemat Brand CAS 595-77-7
Algestone, >95% (HPLC) TRC CAS 595-77-7