| SpectraBase Compound ID | 242seXB9RJJ |
|---|---|
| InChI | InChI=1S/C37H56O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,22-25,27-31,33-34,38H,8,14-21H2,1-7H3 |
| InChIKey | LPQUINUYAUYNKL-UHFFFAOYSA-N |
| Mol Weight | 564.9 g/mol |
| Molecular Formula | C37H56O4 |
| Exact Mass | 564.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqaugPJa6Cv |
|---|---|
| Name | 7,8-Dihydrocarpesterol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 564.417860279 u |
| Formula | C37H56O4 |
| InChI | InChI=1S/C37H56O4/c1-8-25(22(2)3)20-31(38)23(4)28-14-15-29-27-21-32(39)34-24(5)33(41-35(40)26-12-10-9-11-13-26)17-19-37(34,7)30(27)16-18-36(28,29)6/h9-13,22-25,27-31,33-34,38H,8,14-21H2,1-7H3 |
| InChIKey | LPQUINUYAUYNKL-UHFFFAOYSA-N |
| Molecular Weight | 564.851 g/mol |
| SMILES | C1(CCC2(C(C1C)C(CC1C2CCC2(C1CCC2C(C)C(CC(CC)C(C)C)O)C)=O)C)OC(C1=CC=CC=C1)=O |