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Chemical structure of 1α-Hydroxy-3-epi-vitamin D3

GC62761

1α-Hydroxy-3-epi-vitamin D3

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

1α-Hydroxy-3-epi-vitamin D3, a natural metabolite of 1alpha,25-dihydroxyvitamin D3, is a potent suppressor of parathyroid hormone (PTH) secretion

ChemicalCAS58028-00-5MW400.64FormulaC27H44O2
CAS number
58028-00-5
Molecular weight
400.64
Formula
C27H44O2
InChIKey
OFHCOWSQAMBJIW-NIZRVZOPSA-N
Catalogue number
GC62761
Brand
GLPBIO
Computed properties PubChem CID 5283717 · XLogP 6.8 · TPSA 40.5 Ų · H-bond donors 2
XLogP
6.8
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
29

SMILES C[C@H](CCCC(C)C)[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 5283717), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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