| SpectraBase Spectrum ID |
89GcWE6M1Bo |
| Name |
Inecalitol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
37288 |
| Lot Number |
0684360-5 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
163217-09-2 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.297745145 u |
| Formula |
C26H40O3 |
| InChI |
InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1 |
| InChIKey |
HHGRMHMXKPQNGF-WNSNRMDMSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
400.603 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
[C@]1(C[C@@](CC(C1)=C\C=C\1[C@]2(CC[C@@]([C@]2(CCC1)C)([C@@](CC#CC(C)(C)O)(C)[H])[H])[H])(O)[H])(O)[H] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethyl-3-hexyn-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
19-nor-14-epi-23-yne-1,25-dihydroxy Vitamin D3
TX 522 |
| Technique |
ATR-Neat |
