| SpectraBase Spectrum ID |
D1qXOcF80xj |
| Name |
(22S)-22-Methyl-1.alpha.,25-dihydroxyvitamin D3 |
| Alternate Name(s) |
(1R,3R,5Z,7E,22S)-22-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23+,24+,25?,26-,28+/m0/s1 |
| InChIKey |
QPTWRYOQVNBAPE-KXIFALNHSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1C2[C@@]([C@](CC2)([C@@]([C@](CCC(O)(C)C)(C)[H])(C)[H])[H])(CCC1)C)(O)[H])[H] |
| SPLASH |
splash10-0a59-9500000000-11862c44d0c616e51060 |
| Source of Spectrum |
J-58-2537-1 |
| Wiley ID |
1381781 |
