(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

cas: 64701-11-7 — see every product listed under this CAS number, including other names

(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 (CAS 64701-11-7) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

• 2D
• 3D

(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 formula	C26H34O8
Molecular weight	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
SMILES	C[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

[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C₂₆H₃₄O₈

(1R,2R,4S,7S,8S,10S,11R,12R,13S,16R)-7-(furan-3-yl)-10-hydroxy-13-methoxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione C₂₆H₃₄O₈

3,5-dihydroxy-6,6-dimethyl-2-(2-methylbutanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one C₂₆H₃₄O₈