Doxercalciferol-D3

cas: 1217448-46-8 — see every product listed under this CAS number, including other names

Doxercalciferol-D3 (CAS 1217448-46-8) is a chemical reagent available from Chemat. Available pack sizes: 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-D993651-250MG
cas1217448-46-8
size250mg
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Structural formula: {0} (CAS {1})

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol (CAS 1217448-46-8) is a chemical compound with the molecular formula C28H44O and a molecular weight of 399.7 g/mol. IUPAC name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol. InChIKey: MECHNRXZTMCUDQ-BKGWWREFSA-N.

Identity
Molecular formulaC28H44O
Molecular weight399.7 g/mol
IUPAC name(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
InChIKeyMECHNRXZTMCUDQ-BKGWWREFSA-N
SMILES[2H]C(=C/1CC[C@@H](C\C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C)O)[2H]

Computed by PubChem (NCBI)

Synonyms: (3S,5E,7E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol
Related forms of this compound
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C28H44O
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C28H44O
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5R)-7,7,7-trideuterio-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C28H44O
Isomers (same molecular formula)
(1R,1'aR,3'S,3aR,4R,6'aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methylspiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,1'-2,3,4,5,6,6a-hexahydro-1aH-cyclopropa[a]indene]-3'-ol C28H44O
(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(1S)-3-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C28H44O
(9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C28H44O
(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(1S)-3-[(E)-2-[(1R,3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C28H44O
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C28H44O
(4aS,6aS,6aR,6bR,8aS,12aR,14aR,14bS)-4,4a,6a,8a,11,11-hexamethyl-5,6,6a,6b,7,8,9,10,12,12a,13,14,14a,14b-tetradecahydro-1H-picen-2-one C28H44O

Also listed as

Vitamin D2-d3 TRC CAS 1217448-46-8
VD2-D3 TargetMol CAS 1217448-46-8
VD2–D3 GLPBio CAS 1217448-46-8
Vitamin D2-(6,19,19-d3) Iris Biotech CAS 1217448-46-8
Vitamin D2 (6,19,19-d3) Biosynth CAS 1217448-46-8
VITAMIN D2 (6,19,19-D3), 97 ATOM % D, 9& Sigma-Aldrich CAS 1217448-46-8
VD2-D3, 98.60%, 98.60% Chemat CAS 1217448-46-8
Vitamin D2-d3, 98.57% MedChemExpress CAS 1217448-46-8
D3-Ergocalciferol, Concentration: 100 µg/ml Solvent: Ethanol HPC Standards CAS 1217448-46-8