| SpectraBase Spectrum ID |
LrhlHLA8wDn |
| Name |
9.alpha.-(Hydroxy)-(7E)-vitamin D3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h10,12,18,20,22,24-26,28-29H,3,6-9,11,13-17H2,1-2,4-5H3/b21-10+,23-12+/t20-,22+,24-,25?,26-,27-/m1/s1 |
| InChIKey |
JEGAVWSSLLSTNZ-RQQFPCFSSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
O[C@]1(CCC(\C(=C\C=C\2C3[C@](CC[C@]2(O)[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)C1)=C)[H] |
| SPLASH |
splash10-0pvl-2934100000-169b48faea586bc7f0c4 |
| Source of Spectrum |
J-56-3586-15 |
| Synonyms |
(3S,5E,7E,9alpha)-9,10-secocholesta-5,7,10-triene-3,9-diol |
| Wiley ID |
1369740 |
