Home/Compounds/Other/(epsilonR,1R,3aS,4E,7aR)-4-((2Z)-2-((5S)-5-Hydroxy-2-(methylene-d2)cyclohexylidene)ethylidene-2-d)octahydro-alpha,alpha,epsilon,7a-tetramethyl-1H-indene-1-pentanol
C27H44O2
403.7 g/mol
OtherDanger
(epsilonR,1R,3aS,4E,7aR)-4-((2Z)-2-((5S)-5-Hydroxy-2-(methylene-d2)cyclohexylidene)ethylidene-2-d)octahydro-alpha,alpha,epsilon,7a-tetramethyl-1H-indene-1-pentanol
CAS140710-94-7
Category
Other
Compound Class
n.a
Primary Use
research reagent
This compound is a deuterium-labeled derivative of calcitriol, the hormonally active form of vitamin D3. It is primarily used as an internal standard in mass spectrometry-based quantification due to the presence of stable deuterium atoms at specific positions.
internal standard for analytical quantificationresearch compound for vitamin D metabolism studies
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 140710-94-7
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Referencestereoisomer of
Calcifediol
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Referencestereoisomer of
Calcifediol monohydrate
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Referencestereoisomer of
Calcifediol-D6
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Referencestereoisomer of
5-trans-25-hydroxycholecalciferol
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Safety Reference
Danger
H301Toxic if swallowed
H311Toxic in contact with skin
H330Fatal if inhaled
H372Causes damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
(1S,3Z)-3-[(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]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
InChIKey
JWUBBDSIWDLEOM-CMMPNOGOSA-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)O)C)O)[2H]
Synonyms (12)
- 25-Hydroxyvitamin D
- 25-Hydroxyvitamin D3-d3
- 25-Hydroxyvitamin-D3-[2H3]
- Calcifediol D3