Name: Impurity of Doxercalciferol
Rating: 5 (10 reviews)

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HIT ID:HIT212671502
Cas No:127516-23-8
常用名:Impurity of Doxercalciferol
IUPAC:(1R,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
IUPAC:(1R,3R,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
InChI key:HKXBNHCUPKIYDM-BLKIPSJVSA-N

分子式:C28H44O2
分子量:412.658
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:5.746953
SMILES:[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C
SMILES:[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C

Impurity of Doxercalciferol is an impurity of doxercalciferol, a synthetic analog of ergocalciferol used as a drug for secondary hyperparathyroidism and metabolic bone disease, and it suppresses parathyroid synthesis.

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