| SpectraBase Spectrum ID |
L4oeiv4JdU7 |
| Name |
(1.alpha.,3.beta.,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol [1.alpha.,24R,25-trihydroxyvitamin D3] |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21+,22-,23+,24-,25-,27-/m1/s1 |
| InChIKey |
WFZKUWGUJVKMHC-NTXAFIHPSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
O[C@]1(C(\C(=C/C=C/2[C@]3([C@@]([C@@]([C@@](CC[C@](C(O)(C)C)(O)[H])(C)[H])(CC3)[H])(CCC2)C)[H])C[C@@](C1)(O)[H])=C)[H] |
| SPLASH |
splash10-03di-0000900000-278319d87e02dbae6430 |
| Source of Spectrum |
QE-8-2751-1 |
| Wiley ID |
1557742 |
![(1.alpha.,3.beta.,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol [1.alpha.,24R,25-trihydroxyvitamin D3]](/api/spectrum/L4oeiv4JdU7/structure.png?h=300&w=458 "(1.alpha.,3.beta.,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol [1.alpha.,24R,25-trihydroxyvitamin D3]")
