Name: Calcitriol-d6
Rating: 5 (10 reviews)

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HIT ID:HIT212671166
Cas No:78782-99-7
常用名:Calcitriol-d6
别名:骨化三醇 D6, Calcitriol D6
IUPAC:(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-(2H3)methyl(7,7,7-2H3)heptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
IUPAC:(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-(2H3)methyl(7,7,7-2H3)heptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
InChI key:GMRQFYUYWCNGIN-HLEVXKMQSA-N

分子式:C27H44O3
分子量:422.683
氢键供体数 (HBD):3
氢键受体数 (HBA):3
LogP:4.350741
SMILES:[H][C@@]12CC[C@H]([C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES:[H][C@@]12CC[C@H]([C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C

Calcitriol D6 is the deuterated form of Calcitriol, which is the hormonally active form of vitamin D. Calcitriol is the active metabolite of vitamin D3 that activates the vitamin D receptor.

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