| SpectraBase Compound ID | A8aA5T13mkJ |
|---|---|
| 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-SCSYGSSDSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9B6wrOqSmnf |
|---|---|
| Name | (9E)-9-Hydroxyvitamin D3 |
| CAS Registry Number | 133447-44-6 |
| Comments | Less than 3 mono-isotopic peaks |
| 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-SCSYGSSDSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | O[C@]1(CCC(\C(=C/C=C\2C3[C@](CCC2O)([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)C1)=C)[H] |
| SPLASH | splash10-001i-0009000000-4fb93963da08c9e343c2 |
| Source of Spectrum | J-57-1600-10 |
| Synonyms | (3S,5Z,7Z)-9,10-secocholesta-5,7,10-triene-3,9-diol |
| Wiley ID | 1369746 |