(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-methylbut-2-en-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]-ethylidene]-4-methylene-1,3-cyclohexanediol hydrate
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Basic information
| GHS | |
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| Smiles | C[C@@H]([C@]1(CC[C@]2(/C(=C/C=C3\C(=C)[C@@H](O)C[C@H](O)C\3)/CCC[C@]12C)[H])[H])/C=C/[C@@H](O)C1CC1.[H]O[H] |
| Inchi | InChI=1S/C27H40O3.H2O/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2;/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1 |
| InchiKey | XBKHACNRWFKJNC-MANNPBRJSA-N |
| Synonym | CALCIPOTRIOL MONOHYDRATE;(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol hydrate;卡泊三醇单水合物;钙泊三醇一水合物 |
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