1,25-dihydroxyergocalciferol

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	==Description==		==Description==
		+	[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1292&show=SHOW-3D Show 3-D Structure]
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	RN given refers to (3beta,5Z,7E,22E)-isomer		RN given refers to (3beta,5Z,7E,22E)-isomer
	==General Properties==		==General Properties==
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Current revision

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

[edit] Description

Show 3-D Structure

RN given refers to (3beta,5Z,7E,22E)-isomer

[edit] General Properties

*Molecular Weight

428.65

*Molecular Formula

C₂₈H₄₄O₃

*IUPAC NAME

(1R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

*Canonical Smiles

CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

*Isomeric Smiles

C[C@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](CC(C3=C)O)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]Human Metabolome DataBase