| SpectraBase Spectrum ID |
6KiQ3OHO0M9 |
| Name |
9,10-Secocholesta-5,7,10(19)-trien-6,19,19-D3-3-ol, (3.beta.,5E,7E)- |
| Alternate Name(s) |
(5E)-6,19,19'-trideuteriovitamin D3 |
| CAS Registry Number |
72506-00-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H41D3O |
| InChI |
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1/i3D2,13D |
| InChIKey |
QYSXJUFSXHHAJI-YOJCNFGDSA-N |
| Molecular Weight |
387.666 g/mol |
| SMILES |
O[C@]1(C\C(=C\(\C=C\2[C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CCC2)C)[H])[2D])C(CC1)=C([2D])[2D])[H] |
| SPLASH |
splash10-0079-0901000000-cfde3942a78c890ac68d |
| Source of Spectrum |
H-62-1769-0 |
| Wiley ID |
1361994 |
