| SpectraBase Compound ID | KMLvP1D9VZy |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9-10,18-26H,6-8,11-17H2,1-5H3/t20-,21-,22+,23?,24-,25?,26?,27+,28-/m1/s1 |
| InChIKey | CRGXLOJLXSRTIO-OWIUDUBSSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lv4mhnutu9y |
|---|---|
| Name | Cholest-6-en-3-ol, formate, (3.beta.,5.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.349780719 u |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9-10,18-26H,6-8,11-17H2,1-5H3/t20-,21-,22+,23?,24-,25?,26?,27+,28-/m1/s1 |
| InChIKey | CRGXLOJLXSRTIO-OWIUDUBSSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | [C@@]12(C(C3C=C[C@]4([C@@](C3CC2)(CC[C@](OC=O)(C4)[H])C)[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |