| SpectraBase Spectrum ID |
1Pn7Naq4HbO |
| Name |
1.beta.-Butyl-1.beta.,25-dihydroxyvitamin D3 |
| Alternate Name(s) |
1.beta.-Butyl-1.alpha.,25-dihydroxyvitamin D3
(1R,3R,5Z,7E)-1-butyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H52O3 |
| InChI |
InChI=1S/C31H52O3/c1-7-8-19-31(34)21-26(32)20-25(23(31)3)14-13-24-12-10-18-30(6)27(15-16-28(24)30)22(2)11-9-17-29(4,5)33/h13-14,22,26-28,32-34H,3,7-12,15-21H2,1-2,4-6H3/b24-13+,25-14-/t22-,26-,27-,28?,30-,31-/m1/s1 |
| InChIKey |
WWSMOPFEIPRNEI-VOZOPSOCSA-N |
| Molecular Weight |
472.754 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])CCCC |
| SPLASH |
splash10-0udi-0901200000-d9f0672431a10659b1db |
| Source of Spectrum |
J-60-1833-1 |
| Wiley ID |
1393542 |
