| SpectraBase Spectrum ID |
5nn1NjXOQW9 |
| Name |
(20S,22R)-22-Methyl-1.alpha.,25-dihydroxyvitamin D3 |
| 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?/m1/s1 |
| InChIKey |
QPTWRYOQVNBAPE-LMVBGHGTSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
O[C@]1(C[C@@](C\C(C1=C)=C\C=C/1C2C(C(CC2)[C@]([C@@](CCC(O)(C)C)(C)[H])(C)[H])(CCC1)C)(O)[H])[H] |
| SPLASH |
splash10-004i-0449100000-bacb90400d3937e759b5 |
| Source of Spectrum |
E1-39-2735-5 |
| Synonyms |
(1S,3R,5E,7Z,20S,22R)-22-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Wiley ID |
1598883 |
