| SpectraBase Compound ID | AoqLQLOZCnP |
|---|---|
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1 |
| InChIKey | IHOQNBAZWVTKFK-BVBBTSNESA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C34H48O2 |
| Exact Mass | 488.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I3SfZFqP3dV |
|---|---|
| Name | Cholesta-5,7-dien-3beta-ol, benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.365430784 u |
| Formula | C34H48O2 |
| InChI | InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1 |
| InChIKey | IHOQNBAZWVTKFK-BVBBTSNESA-N |
| Molecular Weight | 488.756 g/mol |
| SMILES | C1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4(C3=CC=C2C[C@](C1)(OC(=O)C=1C=CC=CC1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C |