| SpectraBase Spectrum ID |
KIiMTIpr6VC |
| Name |
(23S,25R)-1.alpha.,25-Dihydroxyvitamin D3 26,23-Lactone |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O5 |
| InChI |
InChI=1S/C27H40O5/c1-16(12-21-15-27(4,31)25(30)32-21)22-9-10-23-18(6-5-11-26(22,23)3)7-8-19-13-20(28)14-24(29)17(19)2/h7-8,16,20-24,28-29,31H,2,5-6,9-15H2,1,3-4H3/b18-7+,19-8-/t16-,20-,21+,22-,23?,24-,26-,27-/m1/s1 |
| InChIKey |
WMYIVSWWSRCZFA-IKCPRIHSSA-N |
| Molecular Weight |
444.612 g/mol |
| SMILES |
O[C@@]1(C[C@@](C\C(C1=C)=C/C=C/1C2[C@@]([C@](CC2)([C@@](C[C@@]2(OC(=O)[C@@](C2)(O)C)[H])(C)[H])[H])(CCC1)C)(O)[H])[H] |
| SPLASH |
splash10-001i-0920300000-20c410497965aff6488b |
| Source of Spectrum |
J-57-39-1 |
| Synonyms |
(3R,5S)-5-[(2R)-2-[(1R,4E,7aR)-4-{2-[(1Z,3R,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one |
| Wiley ID |
1386112 |
