Products 80508-42-5

CAS 80508-42-5 is the registry number for Tenacigenin B. Offered by: MedChemExpress. Available pack sizes: Get quote.

Tenacigenin B
MedChemExpress
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Structural formula: {0} (CAS {1})

1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-8,9,14-trihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone (CAS 80508-42-5) is a chemical compound with the molecular formula C21H32O5 and a molecular weight of 364.5 g/mol. IUPAC name: 1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-8,9,14-trihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone. InChIKey: FWXVLSDGEDMLQU-APDNMBNPSA-N.

Identity
Molecular formulaC21H32O5
Molecular weight364.5 g/mol
IUPAC name1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-8,9,14-trihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone
InChIKeyFWXVLSDGEDMLQU-APDNMBNPSA-N
SMILESCC(=O)[C@@H]1CC[C@@]23[C@@]1([C@@H]([C@H]([C@H]4[C@@]2(O3)CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Tenacigenin B, orb1684183
Related forms of this compound
1-[(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-8,9,14-trihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone C21H32O5
Isomers (same molecular formula)
(8S,9S,10R,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O5
1-[(1R,2S,5S,6S,9R,11R,14S,15S,16S)-11,18-dihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]-2-hydroxyethanone C21H32O5
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(5S,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
(5S,8S,9S,10S,11S,13S,14S,17R)-1,2,4,5-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C21H32O5
(3R,5R,8S,9S,10S,13S,14S,17R)-9,12,12-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
2-hydroxy-1-[(3S,8S,9S,10R,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H32O5

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