| SpectraBase Compound ID | IxyrbBioZmt |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,16,19-22,24-27H,7-13,15,17-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | VPSZXGDXMLNHQJ-KWMXJCMHSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7DIjaZzF940 |
|---|---|
| Name | Stigmast-1-en-3-one, (5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h14,16,19-22,24-27H,7-13,15,17-18H2,1-6H3/t20-,21-,22+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | VPSZXGDXMLNHQJ-KWMXJCMHSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C=CC(C4)=O)C)[H])[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C |