1,24,25-Trihydroxyergocalciferol
[CAS# 100496-04-6]

Identification

• Name: 1,24,25-Trihydroxyergocalciferol
• Synonyms: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3As,7Ar)-1-[(E,1R,4R)-4,5-Dihydroxy-1,4,5-Trimethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2Z)-2-[(1R,3As,7Ar)-1-[(E,1R,4R)-4,5-Dihydroxy-1,4,5-Trimethylhex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2Z)-2-[(1R,3As,7Ar)-1-[(E,2R,5R)-5,6-Dihydroxy-5,6-Dimethyl-Hept-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₄O₄
• Molecular Weight: 444.65
• CAS Registry Number: 100496-04-6
• SMILES: [C@]13([C@H](\C(CCC1)=C/C=C/2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3[C@@H](\C=C\[C@@](O)(C(O)(C)C)C)C)C
• InChI: 1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9-,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1
• InChIKey: KRGCLKZOZQUAFK-USJATTOVSA-N