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CHEBI:233816 - 23S,25R-1-alpha-25-hydroxy vitamin D3-26,23-lactol
| Formula | C27H42O5 |
| Net Charge | 0 |
| Average Mass | 446.628 |
| Monoisotopic Mass | 446.30322 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC4CC(C)(O)C(O)O4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
| InChI | InChI=1S/C27H42O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-25,28-31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21?,22-,23+,24+,25?,26-,27?/m1/s1 |
| InChIKey | IYBKBIPCYPEBEW-XOIPKNRJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 23S,25R-1-alpha-25-hydroxy vitamin D3-26,23-lactol (CHEBI:233816) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-methyloxolane-2,3-diol |
| Citations |
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