3,5-Seco-A-norestran-3-oic Acid 17Beta-Hydroxy-5-oxo-benzoate

cas: 122426-44-2 — see every product listed under this CAS number, including other names

3,5-Seco-A-norestran-3-oic Acid 17Beta-Hydroxy-5-oxo-benzoate (CAS 122426-44-2) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-S241015-25MG
cas122426-44-2
size25mg
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Structural formula: {0} (CAS {1})

3-[(3S,3aS,5aS,6R,9aR,9bS)-3-benzoyloxy-3a-methyl-7-oxo-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid (CAS 122426-44-2) is a chemical compound with the molecular formula C24H30O5 and a molecular weight of 398.5 g/mol. IUPAC name: 3-[(3S,3aS,5aS,6R,9aR,9bS)-3-benzoyloxy-3a-methyl-7-oxo-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid. InChIKey: AAUPTDDOIJHZKP-IGRZAPSXSA-N.

Identity
Molecular formulaC24H30O5
Molecular weight398.5 g/mol
IUPAC name3-[(3S,3aS,5aS,6R,9aR,9bS)-3-benzoyloxy-3a-methyl-7-oxo-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
InChIKeyAAUPTDDOIJHZKP-IGRZAPSXSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC(=O)[C@@H]3CCC(=O)O

Computed by PubChem (NCBI)

Synonyms: 3,5-Seco-A-norestran-3-oic Acid 17b-Hydroxy-5-oxo-benzoate
Isomers (same molecular formula)
[2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H30O5
3-[(Z)-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid C24H30O5
4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid C24H30O5
[(1S,2S,3S,5R,9R,11S,12R,13S,16R,17S)-16-acetyl-2,17-dimethyl-6-oxo-10-oxahexacyclo[10.7.0.02,8.03,5.09,11.013,17]nonadec-7-en-16-yl] acetate C24H30O5
[2-oxo-2-[(1S,2S,10S,11S,13R,14S,15S,17S)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] acetate C24H30O5
[2-(17-hydroxy-6,10,13-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate C24H30O5
[(1S,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-2,8,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] acetate C24H30O5
methyl (7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate C24H30O5
4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid C24H30O5
(1S,2S,4R,8S,9S,13S)-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-11,14,17-trien-16-one C24H30O5
[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-2,16-dimethyl-6,9-dioxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-enyl] acetate C24H30O5
2-[1-[2-(1-hydroxypentyl)benzoyl]oxypentyl]benzoic acid C24H30O5

Also listed as

3,5-Seco-A-norestran-3-oic Acid 17b-Hydroxy-5-oxo-benzoate TRC CAS 122426-44-2