| SpectraBase Compound ID | GrVb7QxT6jM |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-17(2)7-8-18(3)23-11-12-24-22-10-9-20-15-21(31-19(4)29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h17-18,20-24,26H,7-16H2,1-6H3/t18-,20?,21-,22+,23-,24+,26-,27+,28-/m1/s1 |
| InChIKey | LAMRJEHFVJODBJ-GWUHADOFSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HNkB9SF0jy |
|---|---|
| Name | 26,27-Dinorergostan-11-one, 3-(acetyloxy)-, (3.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.344695338 u |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-17(2)7-8-18(3)23-11-12-24-22-10-9-20-15-21(31-19(4)29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h17-18,20-24,26H,7-16H2,1-6H3/t18-,20?,21-,22+,23-,24+,26-,27+,28-/m1/s1 |
| InChIKey | LAMRJEHFVJODBJ-GWUHADOFSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(C(C2)=O)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(C)C)(C)[H])[H])[H])C |