Products 22042-13-3

CAS 22042-13-3 appears in our catalog under these names: 3b-Hydroxypregna-5,14-dien-29-one, 3Beta-Hydroxypregna-5,14-dien-29-one. Offered by: TRC. Available pack sizes: 10mg, 1mg, 5mg.

3b-Hydroxypregna-5,14-dien-29-one
TRC
  • size: 10mg
  • Variants: 1
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3Beta-Hydroxypregna-5,14-dien-29-one
TRC
  • size: 1mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

1-[(3S,8R,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (CAS 22042-13-3) is a chemical compound with the molecular formula C21H30O2 and a molecular weight of 314.5 g/mol. IUPAC name: 1-[(3S,8R,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone. InChIKey: XUTXUYNYUKSWRF-LZQVICCCSA-N.

Identity
Molecular formulaC21H30O2
Molecular weight314.5 g/mol
IUPAC name1-[(3S,8R,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
InChIKeyXUTXUYNYUKSWRF-LZQVICCCSA-N
SMILESCC(=O)[C@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: 3b-Hydroxypregna-5,14-dien-29-one, 3beta-Hydroxypregna-5,14-dien-29-one, (3ss)-3-Hydroxypregna-5,14-dien-20-one, 3 beta-Hydroxypregna-5,14-dien-29-one
Isomers (same molecular formula)
1-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H30O2
methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate C21H30O2
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol C21H30O2
[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C21H30O2
(8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol C21H30O2
4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol C21H30O2
(8S,9R,10S,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H30O2
(6aR,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol C21H30O2
2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol C21H30O2
(8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O2
[(3S,8S,9S,10R,14S)-10,17-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C21H30O2
(8S,9R,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H30O2