| SpectraBase Spectrum ID |
IUohqung5Pw |
| Name |
(23S,25R)-25-Hydroxycholecalciferol-26,23-lactone |
| CAS Registry Number |
77714-47-7 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O4 |
| InChI |
InChI=1S/C27H40O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21+,22+,23-,24?,26-,27-/m1/s1 |
| InChIKey |
IJNDMZIDDKVXHR-HWFWVDQQSA-N |
| Molecular Weight |
428.613 g/mol |
| SMILES |
O[C@]1(CCC(\C(=C/C=C/2C3[C@@]([C@@]([C@@](C[C@]4(C[C@](C(O4)=O)(O)C)[H])(C)[H])(CC3)[H])(CCC2)C)C1)=C)[H] |
| SPLASH |
splash10-002b-0018900000-7e45d9eca598b9f8bb30 |
| Source of Spectrum |
J-46-3428-0 |
| Synonyms |
(3R,5S)-5-[(2R)-2-[(1R,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one |
| Wiley ID |
1380829 |
