Products 139954-00-0

CAS 139954-00-0 appears in our catalog under these names: Palbinone, Palbinone, 98.0%. Offered by: Biosynth, MedChemExpress. Available pack sizes: 2mg, 1mg, 5mg, 10mg, 25mg, 5 mg, 1 mg.

Palbinone
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 5
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Palbinone, 98.0%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 2767.08
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Structural formula: {0} (CAS {1})

Palbinone is a 16-oxo steroid. It has a role as a metabolite.

Source: ChEBI

Identity
Molecular formulaC22H30O4
Molecular weight358.5 g/mol
IUPAC name(3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione
InChIKeyKIAKLFLISZCITK-PPAUHQMUSA-N
SMILESC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C=CC4=C(C(=O)C(=O)[C@]43C)O)C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: Palbinone, (-)-Palbinone, orb1708949
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