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Chemical structure of 24R-Calcipotriol

GC35080

24R-Calcipotriol

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

24R-Calcipotriol(PRI 2202) is an impurity of Calcipotriol; Calcipotriol (MC 903; Calcipotriene) is a ligand of VDR-like receptors

ChemicalCAS112827-99-3MW412.6FormulaC27H40O3
CAS number
112827-99-3
Molecular weight
412.6
Formula
C27H40O3
Solubility
DMSO： ≥ 100 mg/mL (242·37 mM)
InChIKey
LWQQLNNNIPYSNX-CIJZWTHJSA-N
Catalogue number
GC35080
Brand
GLPBIO
Computed properties PubChem CID 9547353 · 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 9547353), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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