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Doxercalciferol-[d3]

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General Information
Catalog: BLP-006068
CAS: 2070009-32-2
Molecular Formula: C28H41D3O2
Molecular Weight: 415.66

Chemical Structure

Description	One of the isotopic labelled impurities of Vitamin D2, which could be effective as an antirachitic agent.
Synonyms	(1α,3β,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol-d3; 1-Hydroxyergocalciferol-d3; 1-Hydroxyvitamin D2-d3; Doxercalciferol D3
IUPAC Name	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5R)-6-methyl-5-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Related CAS	54573-75-0 (unlabelled)
Canonical SMILES	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI	InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1/i3D3
InChI Key	HKXBNHCUPKIYDM-SDKOKPGBSA-N
Purity	>98%
Storage	Store at-20°C