(16Alpha,17Beta)- Estra-1,3,5(10)-triene-3,4,16,17-tetrol-16,17-diacetate

cas: 106257-01-6 — see every product listed under this CAS number, including other names

(16Alpha,17Beta)- Estra-1,3,5(10)-triene-3,4,16,17-tetrol-16,17-diacetate (CAS 106257-01-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-E106250-10MG
cas106257-01-6
size10mg
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Structural formula: {0} (CAS {1})

[(8R,9S,13S,14S,16R,17R)-17-acetyloxy-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate (CAS 106257-01-6) is a chemical compound with the molecular formula C22H28O6 and a molecular weight of 388.5 g/mol. IUPAC name: [(8R,9S,13S,14S,16R,17R)-17-acetyloxy-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate. InChIKey: HHVOTIQUQBHNAA-PMFYSIIHSA-N.

Identity
Molecular formulaC22H28O6
Molecular weight388.5 g/mol
IUPAC name[(8R,9S,13S,14S,16R,17R)-17-acetyloxy-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate
InChIKeyHHVOTIQUQBHNAA-PMFYSIIHSA-N
SMILESCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C=CC(=C4O)O

Computed by PubChem (NCBI)

Synonyms: (16a,17b)- Estra-1,3,5(10)-triene-3,4,16,17-tetrol-16,17-diacetate, (16a,?17b)?- Estra-?1,?3,?5(10)?-?triene-?3,?4,?16,?17-?tetrol-16,17-diacetate
Isomers (same molecular formula)
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] formate C22H28O6
4-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid C22H28O6
(1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione C22H28O6
3-[(7R,8R)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]hexanoic acid C22H28O6
(2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid C22H28O6
(9S,10R)-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol C22H28O6
[(1S,2S,5R,7R,8S,10S,11R,13R)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecan-7-yl] acetate C22H28O6
[(1R,2R,5R,7R,8R,9S,10S,11S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-en-7-yl] acetate C22H28O6
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid C22H28O6
[(1S,8S,11S,13R,17S,18S,19R)-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-17-yl] acetate C22H28O6
4,5,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,14-diol C22H28O6
[(1S,3R,8S,10S,11R,12R,15S,17S)-5,12,16,16-tetramethyl-6-oxo-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-15-yl] acetate C22H28O6

Also listed as

(16a,17b)- Estra-1,3,5(10)-triene-3,4,16,17-tetrol-16,17-diacetate TRC CAS 106257-01-6