| SpectraBase Spectrum ID |
2pQa7vM7G4 |
| Name |
1.alpha.,25-Dihydroxy-1.beta.-methylvitamin D3 |
| Alternate Name(s) |
(1R,3R,5Z,7E)-1-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-19(9-7-15-26(3,4)30)24-13-14-25-21(10-8-16-27(24,25)5)11-12-22-17-23(29)18-28(6,31)20(22)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11+,22-12-/t19-,23-,24-,25?,27-,28-/m1/s1 |
| InChIKey |
QDNHALZCHBKBJU-KGIMMCTQSA-N |
| Molecular Weight |
430.673 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])[H])(CCC1)C)(O)[H])C |
| SPLASH |
splash10-0ldi-0901100000-1f1e61f9d663e9027549 |
| Source of Spectrum |
J-60-1833-1 |
| Wiley ID |
1381789 |
