Products 2089-06-7

CAS 2089-06-7 is the registry number for 5α-Pregnane-3,11,20-trione, 98%. Offered by: Chemat. Available pack sizes: 1g, 5g, 10g.

5α-Pregnane-3,11,20-trione, 98%
Chemat
  • size: 1g, 5g, 10g
  • Variants: 3
from 1024.40
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Structural formula: {0} (CAS {1})

5alpha-pregnan-3,11,20-trione is a C21-steroid that is 5alpha-pregnane substituted by oxo groups at positions 3, 11 and 20. It is a metabolite of progesterone. It is a 3-oxo-5alpha-steroid, a 20-oxo steroid, an 11-oxo steroid and a C21-steroid. It derives from a hydride of a 5alpha-pregnane.

Source: ChEBI

Identity
Molecular formulaC21H30O3
Molecular weight330.5 g/mol
IUPAC name(5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
InChIKeyAHRWWYGWQKBKBF-MUGXHADPSA-N
SMILESCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C

Computed by PubChem (NCBI)

Synonyms: Allopregnanetrione, 5alpha-Pregnane-3,11,20-trione, Allopregnanetrion, 5|A-pregnane-3,11,20-trione, (5alpha)-pregnane-3,11,20-trione, 5?-Pregnane-3,11,20-trione, 5alpha-Pregnan-3,11,20-trione, 5.alpha.-Pregnan-3,11,20-trione, 5.alpha.-Pregnane-3,11,20-trione, Pregnane-3,11,20-trione, (5.alpha.)-
Isomers (same molecular formula)
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O3
(1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one C21H30O3
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol C21H30O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O3
methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate C21H30O3
[(7R,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C21H30O3
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C21H30O3
[(1S,2S,4R,6S,8S,11R,12S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadec-14-en-15-yl] acetate C21H30O3
(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O3
(6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O3
(2E,4E,6E,8E)-9-(3-methoxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid C21H30O3
(8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O3