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Chemical structure of Ercalcitriol

GC12685

Ercalcitriol

Also known as trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

A potent agonist of the vitamin D receptor

ChemicalCAS60133-18-8MW428.66FormulaC28H44O3
CAS number
60133-18-8
Molecular weight
428.66
Formula
C28H44O3
Solubility
Ethanol： 1 mg/ml
InChIKey
ZGLHBRQAEXKACO-XJRQOBMKSA-N
Catalogue number
GC12685
Brand
GLPBIO
Computed properties PubChem CID 9547243 · XLogP 4.9 · TPSA 60.7 Ų · H-bond donors 3
XLogP
4.9
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31

SMILES C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Computed descriptors from PubChem (CID 9547243), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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