| SpectraBase Spectrum ID |
AQA1CUfFRw |
| Name |
1-.beta.,3-alpha.-1-(1'(S)-Hydroxyethyl)-25-hydroxyvitamin D3 Homolog |
| Alternate Name(s) |
(1R,3R,5Z,7E)-1-[(1S)-1-hydroxyethyl]-9,10-secocholesta-5,7,10-triene-3,25-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-19(9-7-15-28(4,5)32)26-13-14-27-22(10-8-16-29(26,27)6)11-12-23-17-24(31)18-25(20(23)2)21(3)30/h11-12,19,21,24-27,30-32H,2,7-10,13-18H2,1,3-6H3/b22-11+,23-12-/t19-,21+,24+,25-,26-,27?,29-/m1/s1 |
| InChIKey |
PLLOZIMWGUSLET-QHJJYOBBSA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
O[C@]([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])[H])(C)[H] |
| SPLASH |
splash10-000i-0901000000-4e983bd1cec97c7cd95e |
| Source of Spectrum |
J-58-7215-5 |
| Wiley ID |
1386192 |
