| SpectraBase Compound ID | 9bBCytsv7Am |
|---|---|
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,12,18-24,26,29H,9-11,13-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,23?,24+,26-,27-,28+/m0/s1 |
| InChIKey | ZMEMWXVNBZGZGA-KZIVEQSZSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ijIcSuuvwE |
|---|---|
| Name | 5 alpha-Ergost-14,15-22,23-diene-3 beta-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.354866100 u |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,12,18-24,26,29H,9-11,13-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,23?,24+,26-,27-,28+/m0/s1 |
| InChIKey | ZMEMWXVNBZGZGA-KZIVEQSZSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | C1=2[C@@]([C@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])([H])CC2)(CC[C@@]2([C@@]3([C@@](C[C@@](O)(CC3)[H])([H])CCC12)C)[H])C |