Products 56588-58-0

CAS 56588-58-0 appears in our catalog under these names: Estrone-d2, Estrone D2 (16,16-D2), Estrone-16,16-d2, 98 atom % D, min 98% Chemical Purity, Estrone-d2-1, 99.75%. Offered by: TRC, Dr. Ehrenstorfer, CDN, Biosynth, MedChemExpress. Available pack sizes: 50mg, 5mg, 10mg, 0,05g, 0,01g, 25mg, 100mg, 5 mg.

Estrone-d2
TRC, Biosynth
  • size: 50mg, 5mg, 25mg, 100mg
  • Variants: 5
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Estrone D2 (16,16-D2)
Dr. Ehrenstorfer
  • size: 10mg
  • Variants: 1
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Estrone-16,16-d2, 98 atom % D, min 98% Chemical Purity
CDN
  • size: 0,05g, 0,01g
  • Variants: 2
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Estrone-d2-1, 99.75%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 486.88
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Structural formula: {0} (CAS {1})

(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one (CAS 56588-58-0) is a chemical compound with the molecular formula C18H22O2 and a molecular weight of 272.4 g/mol. IUPAC name: (8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one. InChIKey: DNXHEGUUPJUMQT-XIMAIENTSA-N.

Identity
Molecular formulaC18H22O2
Molecular weight272.4 g/mol
IUPAC name(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
InChIKeyDNXHEGUUPJUMQT-XIMAIENTSA-N
SMILES[2H]C1(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)O)[2H]

Computed by PubChem (NCBI)

Synonyms: Estrone-d2, Estrone-d2-1, orb2299700, Estrone D2 (16,16-D2), Estrone-d2 Solution in Acetonitrile, 100ug/mL, Estrone-d2 Solution in Acetonitrile, 1000ug/mL, 3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one, 3-Hydroxy(16,16-~2~H_2_)estra-1,3,5(10)-trien-17-one
Related forms of this compound
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C18H22O2
(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one C18H22O2
(8R,9R,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C18H22O2
(8R,9S,13S,14S)-2,4-dideuterio-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C18H22O2
Isomers (same molecular formula)
naphthalen-2-yl octanoate C18H22O2
4-(4-hydroxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenol C18H22O2
3-(4-methylphenyl)adamantane-1-carboxylic acid C18H22O2
3-(1-adamantyl)-2-hydroxy-5-methylbenzaldehyde C18H22O2
[4-(1-adamantyl)phenyl] acetate C18H22O2
(5-tert-butyl-2-phenylmethoxyphenyl)methanol C18H22O2
4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol C18H22O2
(8S,13S,14S,17S)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol C18H22O2