| SpectraBase Compound ID | 3kp1olt5XFl |
|---|---|
| InChI | InChI=1S/C33H48O/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,11-14,23,27-31H,9-10,15-22H2,1-5H3/b24-11-/t27?,28-,29+,30-,31-,32-,33+/m0/s1 |
| InChIKey | DWHAKIZXPKAPJZ-XDPYOUPDSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C33H48O |
| Exact Mass | 460.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XcmODMzldz |
|---|---|
| Name | Cholest-5,20(22)-diene-3B-phenoxy |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.370516165 u |
| Formula | C33H48O |
| InChI | InChI=1S/C33H48O/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,11-14,23,27-31H,9-10,15-22H2,1-5H3/b24-11-/t27?,28-,29+,30-,31-,32-,33+/m0/s1 |
| InChIKey | DWHAKIZXPKAPJZ-XDPYOUPDSA-N |
| Molecular Weight | 460.746 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(C)=C/CCC(C)C)[H])[H])C)[H])[H])C)OC=1C=CC=CC1 |