| SpectraBase Spectrum ID |
IkULi58vCFe |
| Name |
9,10-Secocholesta-1(10),5,7-trien-3-ol, (3.beta.,5E,7E)- |
| Alternate Name(s) |
(3R,5Z,7E)-9,10-secocholesta-1(10),5,7-trien-3-ol
Insovitamin D3
Isovitamin D3
Toxisterol3 D2 |
| CAS Registry Number |
42607-12-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O |
| 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/h11-13,19,21,24-26,28H,6-10,14-18H2,1-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1 |
| InChIKey |
LMBGVVOJTGHJNP-YHJXBONMSA-N |
| Molecular Weight |
384.648 g/mol |
| SMILES |
O[C@@]1(CC=C(\C(=C/C=C/2[C@]3([C@@]([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])(CCC2)C)[H])C1)C)[H] |
| SPLASH |
splash10-001i-0049000000-7cb1a9bf8a4ebdce1981 |
| Source of Spectrum |
H-62-1768-0 |
| Wiley ID |
1361968 |
