Products 80666-48-4

CAS 80666-48-4 appears in our catalog under these names: Vitamin D3-d3, Vitamin D3–d3, Vitamin D3-(6,19,19-d3), Vitamin D3(6,19,19-d3), 1 mg/mL ethanol solution, VITAMIN D3 (6,19,19-D3), 1 MG/ML SOLUTI&. Offered by: TRC, TargetMol, GLPBio, Iris Biotech, Biosynth. Available pack sizes: 1mg, 5mg, 2g, 1g, 25mg, 10mg, 50mg, 1ML.

Vitamin D3-d3
TRC, TargetMol, Biosynth
  • size: 1mg, 25mg, 10mg, 50mg
  • Variants: 5
from 10168.09
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Vitamin D3–d3
GLPBio
  • size: 1mg
  • Variants: 1
from 6396.18
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Vitamin D3-(6,19,19-d3)
Iris Biotech
  • size: 1mg, 5mg
  • Variants: 2
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Vitamin D3(6,19,19-d3), 1 mg/mL ethanol solution
Biosynth
  • size: 2g, 1g
  • Variants: 2
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VITAMIN D3 (6,19,19-D3), 1 MG/ML SOLUTI&
Sigma-Aldrich
  • size: 1ML
  • Variants: 1
from 5587.00
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VITAMIN D3 (6,19,19-D3) SOLUTION, 100UG&
Sigma-Aldrich
  • size: 1ML
  • Variants: 1
from 1825.00
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Vitamin D3-d3, 98.45%
MedChemExpress
  • size: 1 mg, 100 μg
  • Variants: 2
from 1513.20
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D3-Cholecalciferol, Concentration: 100 µg/ml Solvent: Ethanol
HPC Standards
  • size: 1x1ml
  • Variants: 1
from 2088.66
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Structural formula: {0} (CAS {1})

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol (CAS 80666-48-4) is a chemical compound with the molecular formula C27H44O and a molecular weight of 387.7 g/mol. IUPAC name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol. InChIKey: QYSXJUFSXHHAJI-GLSUUORTSA-N.

Identity
Molecular formulaC27H44O
Molecular weight387.7 g/mol
IUPAC name(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
InChIKeyQYSXJUFSXHHAJI-GLSUUORTSA-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)CCCC(C)C)C)O)[2H]

Computed by PubChem (NCBI)

Synonyms: Vitamin D3-d3, Vitamin D3;Colecalciferol, Vitamin D3 (6,19,19-d3), Vitamin D3-d3; <br>Cholecalciferol-d3, Vitamin D3(6,19,19-d3), 1 mg/mL ethanol solution
Related forms of this compound
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C27H44O
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C27H44O
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C27H44O
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C27H44O
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol C27H44O
Isomers (same molecular formula)
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)hept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C27H44O
(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C27H44O
(1S)-3-[(E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C27H44O
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol C27H44O
(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol C27H44O
(1S)-3-[(E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C27H44O
(1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol C27H44O