Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA46FX
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| Ligand Name |
(1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-3-Methoxy-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1h-Inden-4-Ylidene]ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
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| Synonyms |
(1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-3-Methoxy-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1h-Inden-4-Ylidene]ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol; 1alpha,25-Dihydroxy-15alpha-methoxycholecalciferol; Q27459948; EIM
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| Structure |
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Download2D MOL |
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| Formula |
C28H46O4
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| Canonical SMILES |
CC(CCCC(C)(C)O)C1CC(C2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OC
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| InChI |
1S/C28H46O4/c1-18(9-7-13-27(3,4)31)23-17-25(32-6)26-20(10-8-14-28(23,26)5)11-12-21-15-22(29)16-24(30)19(21)2/h11-12,18,22-26,29-31H,2,7-10,13-17H2,1,3-6H3/b20-11+,21-12-/t18-,22-,23-,24+,25+,26-,28-/m1/s1
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| InChIKey |
MKYCMLKYANTZFR-GSVKQXOCSA-N
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| PubChem Compound ID | ||||
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