Products 77530-51-9

CAS 77530-51-9 is the registry number for (7alpha,20S)-7,21-Dihydroxy-20-methylpregn-4-en-3-one. Offered by: TRC. Available pack sizes: 25mg.

(7alpha,20S)-7,21-Dihydroxy-20-methylpregn-4-en-3-one
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (CAS 77530-51-9) is a chemical compound with the molecular formula C22H34O3 and a molecular weight of 346.5 g/mol. IUPAC name: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one. InChIKey: KHAASJIVTYLGID-YHPPHIJISA-N.

Identity
Molecular formulaC22H34O3
Molecular weight346.5 g/mol
IUPAC name(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKeyKHAASJIVTYLGID-YHPPHIJISA-N
SMILESC[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C

Computed by PubChem (NCBI)

Synonyms: (7alpha,20S)-7,21-Dihydroxy-20-methylpregn-4-en-3-one, KHAASJIVTYLGID-YHPPHIJISA-N, (20s)-7alpha,21-dihydroxy-20-methylpregn-4-en-3-one, (20s)-7alpha,21-dihydroxy-20-methyl-pregn-4-en-3-one
Isomers (same molecular formula)
[(1S,3S,5S,8S,10S)-10-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate C22H34O3
(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol C22H34O3
(8S,9R,10S,13R,14S,17R)-9-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H34O3
1-[(3S,8S,9S,10R,13S,14S,16R,17R)-3-hydroxy-16-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C22H34O3
1-[(3S,8R,9S,10R,13S,14S,16R,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C22H34O3
1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C22H34O3
2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid C22H34O3
(7Z,10Z,14E,16Z,19Z)-13-hydroxydocosa-7,10,14,16,19-pentaenoic acid C22H34O3
(1S,2S,10R,11R,14S,16R)-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosan-17-one C22H34O3
[(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] acetate C22H34O3
[(3S,8S,9S,10R,13S,14S,17S)-17-(hydroxymethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C22H34O3
(1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-2-yl) acetate C22H34O3