23,24,25-Trihydroxyvitamin D3 structure

23,24,25-Trihydroxyvitamin D3

(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol

Also Known As: 23,24,25-Trihydroxyvitamin D3|(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol|9,10-Secocholesta-5,7,10(19)-triene-3,23,24,25-tetrol, (3beta,5Z,7E)-

CAS: 80463-20-3
Molecular Formula C27H44O4
Molecular Weight 432.32397 g/mol
LogP 4.6755
Topological Polar Surface Area 80.92 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 432.32397
Monoisotopic Mass 432.32397
Heavy Atoms 31
Complexity 715.2383

Chemical Identifiers

CAS Number 80463-20-3
SMILES C[C@H](CC(C(C(C)(C)O)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C

Product Overview

23,24,25-Trihydroxyvitamin D3 (CAS 80463-20-3), with molecular formula C27H44O4 and molecular weight 432.32397 g/mol. IUPAC: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3,4-triol.

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