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61476-45-7

61476-45-7 Structure

61476-45-7 Structure
IdentificationBack Directory
[Name]

1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1S,3S,5Z)-
[CAS]

61476-45-7
[Synonyms]

1-alpha,25-Dihydroxy-3-epi Vitamin D3
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1S,3S,5Z)-
[Molecular Formula]

C27H44O3
[MDL Number]

MFCD28963706
[MOL File]

61476-45-7.mol
[Molecular Weight]

416.64
Chemical PropertiesBack Directory
[Boiling point ]

565.0±50.0 °C(Predicted)
[density ]

1.06±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

14.43±0.40(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Biological Activity]

(1S)-Calcitriol (1α,25-Dihydroxy-3-epi-vitamin-D3) is a natural metabolite of 1α,25-dihydroxyvitamin D3 (1α,25(OH)2D3). (1S)-Calcitriol exhibits potent vitamin D receptor (VDR)-mediated actions such as inhibition of keratinocyte growth or suppression of parathyroid hormone secretion[1]. 3‐epi‐Calcitroic acid is an end product of (1S)-Calcitriol (1α,25-Dihydroxy-3-epi-vitamin-D3; 3‐epi‐1a,25(OH)2D3) metabolism by rat CYP24A1[1].
[References]

[1]. Steve Y Rhieu, et al. Metabolic stability of 3-epi-1α,25-dihydroxyvitamin D3 over 1 α 25-dihydroxyvitamin D3: metabolism and molecular docking studies using rat CYP24A1. J Cell Biochem. 2013 Oct;114(10):2293-305.
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