| SpectraBase Compound ID | COXuHi91vrp |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-24,26,28H,8-18H2,1-7H3/t20-,21+,23-,24-,26+,28-,29-,30+/m0/s1 |
| InChIKey | LALAQRGFSWBMHR-VHEPHSCYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqWtyvjuJm6 |
|---|---|
| Name | Ergost-8(14)-en-3-ol, acetate, (3.beta.,5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19-21,23-24,26,28H,8-18H2,1-7H3/t20-,21+,23-,24-,26+,28-,29-,30+/m0/s1 |
| InChIKey | LALAQRGFSWBMHR-VHEPHSCYSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@@]12([H])CCC3=C4[C@]([C@@]([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])(CC4)[H])(C)CC[C@@]3([C@@]1(C)CC[C@@](C2)(OC(=O)C)[H])[H] |