| SpectraBase Compound ID | 5OydGurg5mr |
|---|---|
| InChI | InChI=1S/C37H60O3/c1-9-40-32(39)16-13-26(38)12-11-25(2)27-17-22-34(5)28(27)18-23-36(7)30(34)14-15-31-35(6)21-10-20-33(3,4)29(35)19-24-37(31,36)8/h25-31,38H,9-12,14-15,17-24H2,1-8H3/t25?,26?,27-,28?,29?,30?,31?,34+,35+,36-,37-/m1/s1 |
| InChIKey | NGCSMUJBEDTVHS-QYBXDVIZSA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C37H60O3 |
| Exact Mass | 552.454246 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IDDJHCJB57R |
|---|---|
| Name | (22S,32Rs)-propargylic alcohol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.454245789 u |
| Formula | C37H60O3 |
| InChI | InChI=1S/C37H60O3/c1-9-40-32(39)16-13-26(38)12-11-25(2)27-17-22-34(5)28(27)18-23-36(7)30(34)14-15-31-35(6)21-10-20-33(3,4)29(35)19-24-37(31,36)8/h25-31,38H,9-12,14-15,17-24H2,1-8H3/t25?,26?,27-,28?,29?,30?,31?,34+,35+,36-,37-/m1/s1 |
| InChIKey | NGCSMUJBEDTVHS-QYBXDVIZSA-N |
| Molecular Weight | 552.884 g/mol |
| SMILES | [C@]12([C@]3(C([C@]4(CC[C@@](C4CC3)(C(CCC(C#CC(=O)OCC)O)C)[H])C)CCC2[C@@]2(C(C(CCC2)(C)C)CC1)C)C)C |