Products 131550-95-3

CAS 131550-95-3 is the registry number for (3Beta,22E)-Ergosta-5,7,22-triene-3,24,25-triol-d3. Offered by: TRC. Available pack sizes: 0,5mg, 5mg.

(3Beta,22E)-Ergosta-5,7,22-triene-3,24,25-triol-d3
TRC
  • size: 0,5mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(E,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol (CAS 131550-95-3) is a chemical compound with the molecular formula C28H44O3 and a molecular weight of 431.7 g/mol. IUPAC name: (E,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol. InChIKey: BCQHFESGGDDZQX-BFULJJCSSA-N.

Identity
Molecular formulaC28H44O3
Molecular weight431.7 g/mol
IUPAC name(E,6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol
InChIKeyBCQHFESGGDDZQX-BFULJJCSSA-N
SMILES[2H]C([2H])([2H])C(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)(C(C)(C)O)O

Computed by PubChem (NCBI)

Synonyms: (3Beta,22E)-Ergosta-5,7,22-triene-3,24,25-triol-d3, Ergosta-5,7,22-triene-28,28,28-d3-3,24,25-triol, (3ss,22E)
Isomers (same molecular formula)
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
cis-(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,4-dimethylidenecyclohexane-1,3-diol C28H44O3
(E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol C28H44O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C28H44O3
(E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol C28H44O3
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate C28H44O3
(E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol C28H44O3