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Chemical structure of Impurity F of Calcipotriol

GC36302

Impurity F of Calcipotriol

Also known as (E,1S,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-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

Impurity F of Calcipotriol; Calcipotriol (MC 903; Calcipotriene) is a ligand of VDR-like receptors

ChemicalCAS112875-61-3MW641.13FormulaC39H68O3Si2
CAS number
112875-61-3
Molecular weight
641.13
Formula
C39H68O3Si2
Solubility
Soluble in DMSO
InChIKey
DIMYHZDULFSWLS-OABMYDGKSA-N
Catalogue number
GC36302
Brand
GLPBIO
Computed properties PubChem CID 71587427 · TPSA 38.7 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
38.7 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
44

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

Computed descriptors from PubChem (CID 71587427), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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