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Chemical structure of Calcipotriol, (5E)-

GC35583

Calcipotriol, (5E)-

Also listed as Calcipotriol Impurity C

Calcipotriol Impurity C is the impurity of Calcipotriol, Calcipotriol is a ligand of VDR-like receptors

ChemicalCAS113082-99-8MW412.6FormulaC27H40O3
CAS number
113082-99-8
Molecular weight
412.6
Formula
C27H40O3
Solubility
DMSO： ≥ 100 mg/mL (242·37 mM)
InChIKey
LWQQLNNNIPYSNX-GMGGYIQASA-N
Catalogue number
GC35583
Brand
GLPBIO
Computed properties PubChem CID 9801803 · XLogP 4.3 · TPSA 60.7 Ų · H-bond donors 3
XLogP
4.3
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30

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)O)C

Computed descriptors from PubChem (CID 9801803), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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