Products 64701-11-7

CAS 64701-11-7 appears in our catalog under these names: Norethindrone Beta-D-Glucuronide, >95% (HPLC), (2S,3S,4S,5R,6S)–6–(((8R,9S,10R,13S,14S,17R)–17–ethynyl–13–methyl–3–(oxo–17O)–2,3,6,7,8,9,10,11,12,13,14,15,16,17–tetradecahydro–1H–cyclopenta(a)phenanthren–17–yl)oxy)–3,4,5–trihydroxytetrahydro–2H–pyran–2–carboxylic acid, Norethindrone b-D-glucuronide. Offered by: TRC, GLPBio, Chemat. Available pack sizes: 1mg, 10mg, 2mg, 5mg.

Norethindrone Beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 1mg
  • Variants: 1
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(2S,3S,4S,5R,6S)–6–(((8R,9S,10R,13S,14S,17R)–17–ethynyl–13–methyl–3–(oxo–17O)–2,3,6,7,8,9,10,11,12,13,14,15,16,17–tetradecahydro–1H–cyclopenta(a)phenanthren–17–yl)oxy)–3,4,5–trihydroxytetrahydro–2H–pyran–2–carboxylic acid
GLPBio
  • size: 1mg
  • Variants: 1
from 1842.05
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Norethindrone b-D-glucuronide
Chemat
  • size: 10mg, 1mg, 2mg, 5mg
  • Variants: 4
from 2027.60
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 64701-11-7) is a chemical compound with the molecular formula C26H34O8 and a molecular weight of 474.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: CQOHDQNOAACQBL-GBJMIENCSA-N.

Identity
Molecular formulaC26H34O8
Molecular weight474.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyCQOHDQNOAACQBL-GBJMIENCSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35

Computed by PubChem (NCBI)

Synonyms: Norethindrone b-D-Glucuronide, Norethindrone Glucuronide, Norethindrone beta-D-Glucuronide, Norethindrone ?-D-Glucuronide, Glucosiduronic acid, 3-oxo-19-nor-17alpha-pregn-4-en-20-yn-17-yl, beta-D-Glucopyranosiduronic acid, (17alpha)-3-oxo-19-norpregn-4-en-20-yn-17-yl
Isomers (same molecular formula)
4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid C26H34O8
4-[2-[(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C26H34O8
4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C26H34O8