| SpectraBase Compound ID | 4wwx9rfHn9z |
|---|---|
| InChI | InChI=1S/C30H48O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-20,22-24,26-27H,8,11-18H2,1-7H3/b10-9+/t20-,22+,23+,24-,26+,27+,29-,30+/m1/s1 |
| InChIKey | NMWREDUBRPCHTR-PSPPBEMPSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeWpTKNa8ms |
|---|---|
| Name | Stigmasta-4,22-dien-3-one, 4-methyl-, (22E,24R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.370516165 u |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-20,22-24,26-27H,8,11-18H2,1-7H3/b10-9+/t20-,22+,23+,24-,26+,27+,29-,30+/m1/s1 |
| InChIKey | NMWREDUBRPCHTR-PSPPBEMPSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@]([C@@](\C=C\[C@@](C(C)C)(CC)[H])(C)[H])(CC4)[H])[H])(CCC2=C(C)C(CC1)=O)[H])[H] |