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Chemical structure of Calcitriol Derivatives

GC35590

Calcitriol Derivatives

Also known as 3-[(1R,3Z,5S)-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]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxypropanenitrile

Calcitriol Derivatives is a vitamin D3 analog

ChemicalCAS2070009-24-2MW469.7FormulaC30H47NO3
CAS number
2070009-24-2
Molecular weight
469.7
Formula
C30H47NO3
Solubility
Soluble in DMSO
InChIKey
JEXMJWGETRFCMK-MSCDRTKFSA-N
Catalogue number
GC35590
Brand
GLPBIO
Computed properties PubChem CID 66577070 · XLogP 5.3 · TPSA 73.5 Ų · H-bond donors 2
XLogP
5.3
TPSA
73.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
34

SMILES C[C@H](CCCC(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)OCCC#N)C

Computed descriptors from PubChem (CID 66577070), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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