Products 127684-07-5

CAS 127684-07-5 appears in our catalog under these names: 5 ALPHA 6 BETA-DIHYDROXYCHOLESTANOL-D7, 3Beta,5Alpha,6Beta-Trihydroxycholestane-d7, >95% (HPLC), 5α,6β–Dihydroxycholestanol–d7, 3β,5α,6β-Trihydroxycholestane-d7. Offered by: Sigma-Aldrich, TRC, GLPBio, MedChemExpress. Available pack sizes: 1MG, 10mg, 500μg, 1 mg.

5 ALPHA 6 BETA-DIHYDROXYCHOLESTANOL-D7
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 2060.00
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3Beta,5Alpha,6Beta-Trihydroxycholestane-d7, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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5α,6β–Dihydroxycholestanol–d7
GLPBio
  • size: 1mg, 500μg
  • Variants: 2
from 1687.60
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3β,5α,6β-Trihydroxycholestane-d7
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 2855.32
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Structural formula: {0} (CAS {1})

(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol (CAS 127684-07-5) is a chemical compound with the molecular formula C27H48O3 and a molecular weight of 427.7 g/mol. IUPAC name: (3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol. InChIKey: YMMFNKXZULYSOQ-UCHKBJBUSA-N.

Identity
Molecular formulaC27H48O3
Molecular weight427.7 g/mol
IUPAC name(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
InChIKeyYMMFNKXZULYSOQ-UCHKBJBUSA-N
SMILES[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C([2H])([2H])[2H]

Computed by PubChem (NCBI)

Synonyms: 3beta,5alpha,6beta-Trihydroxycholestane-d7, 3|A,5|A,6|A-Trihydroxycholestane-d7, 3b,5a,6b-Trihydroxycholestane-d7, 5alpha,6beta-Dihydroxycholestanol-d7, 3?,5?,6?-Trihydroxycholestane-d7, d7-cholestane-3beta,5alpha,6beta-triol
Related forms of this compound
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol C27H48O3
(3S,5S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol C27H48O3
(3S,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol C27H48O3
Isomers (same molecular formula)
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H48O3
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol C27H48O3
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol C27H48O3