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Chemical structure of Calcitetrol

GC35585

Calcitetrol

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

Calcitetrol(1α, 24, 25-Trihydroxy VD3) is the hormonally active form of vitamin D with three hydroxyl groups

ChemicalCAS72203-93-1MW432.64FormulaC27H44O4
CAS number
72203-93-1
Molecular weight
432.64
Formula
C27H44O4
Solubility
DMSO ： 100 mg/mL (231·14 mM; Need ultrasonic)
InChIKey
WFZKUWGUJVKMHC-QPGHTDHKSA-N
Catalogue number
GC35585
Brand
GLPBIO
Computed properties PubChem CID 9910685 · XLogP 3.9 · TPSA 80.9 Ų · H-bond donors 4
XLogP
3.9
TPSA
80.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

SMILES C[C@H](CCC(C(C)(C)O)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 9910685), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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