| SpectraBase Spectrum ID |
8mxr9muMRaw |
| Name |
1.alpha.,25-Diydroxy-3-epivitamin D3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23?,24?,25-,27-/m1/s1 |
| InChIKey |
GMRQFYUYWCNGIN-LCXZFJSMSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
O[C@@]1(C[C@](C\C(C1=C)=C/C=C/1C2[C@@](C(CC2)[C@@](CCCC(O)(C)C)(C)[H])(CCC1)C)(O)[H])[H] |
| SPLASH |
splash10-0kai-3912100000-93148b6970b4c276a6cb |
| Source of Spectrum |
J-58-1898-4 |
| Synonyms |
(1R,3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Wiley ID |
1376630 |
