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Home/Compounds/Pharmaceutical Intermediate/Bis-TBDMS-trans-calcipotriol
C39H68O3Si2
641.1 g/mol
Pharmaceutical Intermediate

Bis-TBDMS-trans-calcipotriol

CAS112849-27-1
Category
Pharmaceutical Intermediate
Compound Class
Steroid
Primary Use
Pharmaceutical Intermediate

This compound is a silyl-protected intermediate used in the synthesis of calcipotriol, a vitamin D analog. It features a complex stereochemistry defined by multiple chiral centers and tert-butyl(dimethyl)silyl (TBDMS) protecting groups.

Intermediate for calcipotriol synthesis

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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Related Compounds

SimilarStructure SimilarSimilarity 0.82

[[(1a,3b,5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]

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SimilarStructure SimilarSimilarity 0.78

(S)-2-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol

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SimilarStructure SimilarSimilarity 0.77

(2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one

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Referencestereoisomer of

(5Z,7E,22E,24S)-24-cyclopropyl-1α,3β-bis(((1,1-dimethylethyl)dimethylsilyl)oxy)-9,10-secochola-5,7,10(19),22-tetraen-24-ol

CAS112875-61-3

pharmaceutical intermediate

Identifiers
IUPAC Name

(E,1S,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-ol

InChIKey

DIMYHZDULFSWLS-YFSXTQNDSA-N

SMILES

C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C

Synonyms (8)
  • Bis-TBDMS-trans-calcipotriol
  • Calcipotriol Impurity 10