| SpectraBase Compound ID | 6mSNYP1WnOj |
|---|---|
| InChI | InChI=1S/C29H46O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h7-8,16,19-20,23-27,30H,1,9-15,17-18H2,2-6H3/b21-16+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | DEMCFQXMVJIOKG-RUNKKSCOSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mfiXftXZX2 |
|---|---|
| Name | Cholesta-5,23-dien-3-ol, 23-ethenyl-, (3.beta.,23Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.354866100 u |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h7-8,16,19-20,23-27,30H,1,9-15,17-18H2,2-6H3/b21-16+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | DEMCFQXMVJIOKG-RUNKKSCOSA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](C\C(=C\C(C)C)C=C)(C)[H])[H])[H])C |