| SpectraBase Compound ID | 4CDxNsRqasf |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-28-26(5)19-20-29-31(7,8)30(34-27(6)33)21-22-32(28,29)9/h13,15,17,29-30H,10-12,14,16,18-22H2,1-9H3/b24-15+,25-17+/t29-,30+,32+/m0/s1 |
| InChIKey | NWJVBRDYMWDMHR-NSJGANNNSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZnYHk6qw2b |
|---|---|
| Name | Polypoda-8(9),13,17,21-tetraen-3alpha-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.396730912 u |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-23(2)13-10-14-24(3)15-11-16-25(4)17-12-18-28-26(5)19-20-29-31(7,8)30(34-27(6)33)21-22-32(28,29)9/h13,15,17,29-30H,10-12,14,16,18-22H2,1-9H3/b24-15+,25-17+/t29-,30+,32+/m0/s1 |
| InChIKey | NWJVBRDYMWDMHR-NSJGANNNSA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | C1C[C@]2([C@@](CCC(=C2CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(C([C@@]1(OC(C)=O)[H])(C)C)[H])C |