| SpectraBase Compound ID | A8CYvpMmfWE |
|---|---|
| InChI | InChI=1S/C32H56O/c1-22(2)9-8-10-24(5)28-13-14-29-27-12-11-25-21-26(33-20-17-23(3)4)15-18-31(25,6)30(27)16-19-32(28,29)7/h11,22-24,26-30H,8-10,12-21H2,1-7H3/t24-,26+,27+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | ANAJYEZUWQRKRT-RWFZIKKDSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C32H56O |
| Exact Mass | 456.433116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fGhxnlVSZi |
|---|---|
| Name | 3Beta-(isopentyloxy)cholest-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.433116422 u |
| Formula | C32H56O |
| InChI | InChI=1S/C32H56O/c1-22(2)9-8-10-24(5)28-13-14-29-27-12-11-25-21-26(33-20-17-23(3)4)15-18-31(25,6)30(27)16-19-32(28,29)7/h11,22-24,26-30H,8-10,12-21H2,1-7H3/t24-,26+,27+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | ANAJYEZUWQRKRT-RWFZIKKDSA-N |
| Molecular Weight | 456.799 g/mol |
| SMILES | C1[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@]4([C@@]3(CC=C2C[C@](C1)(OCCC(C)C)[H])[H])[H])[H])C)[H])C |