| SpectraBase Compound ID | EYfdKxMbzzS |
|---|---|
| InChI | InChI=1S/C40H66/c1-29(17-13-19-31(3)21-26-39-27-25-33(5)36(8)38(39)10)15-11-12-16-30(2)18-14-20-32(4)22-28-40-35(7)24-23-34(6)37(40)9/h23-25,27,29-32H,11-22,26,28H2,1-10H3 |
| InChIKey | XIMULQBFVZGUGN-UHFFFAOYSA-N |
| Mol Weight | 547.0 g/mol |
| Molecular Formula | C40H66 |
| Exact Mass | 546.516452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dY6GpxHSZU |
|---|---|
| Name | 7,8,9,10,11,12,13,14,15,7',8',9',10',11',12',13',14',15'-Octadecahydro-chi,chi-C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.516452125 u |
| Formula | C40H66 |
| InChI | InChI=1S/C40H66/c1-29(17-13-19-31(3)21-26-39-27-25-33(5)36(8)38(39)10)15-11-12-16-30(2)18-14-20-32(4)22-28-40-35(7)24-23-34(6)37(40)9/h23-25,27,29-32H,11-22,26,28H2,1-10H3 |
| InChIKey | XIMULQBFVZGUGN-UHFFFAOYSA-N |
| Molecular Weight | 546.968 g/mol |
| SMILES | C(CCC(CCCCC(CCCC(CCc1c(C)c(C)ccc1C)C)C)C)C(C)CCc1c(C)c(C)c(C)cc1 |