| SpectraBase Compound ID | FPWDUOeom8G |
|---|---|
| InChI | InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h10,16-19,21H,5-9,11-13H2,1-4H3/t16?,17-,18+,19+,21+,22+,23+/m1/s1 |
| InChIKey | JVZVAWGMQGAEME-GUYYSMISSA-N |
| Mol Weight | 374.5 g/mol |
| Molecular Formula | C23H34O4 |
| Exact Mass | 374.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DVp2mhV78r |
|---|---|
| Name | Etiochol-9(11)-en-3.alpha.,17.beta.-diol, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.245709571 u |
| Formula | C23H34O4 |
| InChI | InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h10,16-19,21H,5-9,11-13H2,1-4H3/t16?,17-,18+,19+,21+,22+,23+/m1/s1 |
| InChIKey | JVZVAWGMQGAEME-GUYYSMISSA-N |
| Molecular Weight | 374.521 g/mol |
| SMILES | [C@@]1(CC[C@]2(C(C1)CC[C@@]1(C2=CC[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)[H])C)(OC(=O)C)[H] |