| SpectraBase Compound ID | BJijKSaddPT |
|---|---|
| InChI | InChI=1S/C29H48O/c1-19(2)20(3)8-7-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10,19,21,23-27,30H,7,9,11-18H2,1-6H3/b20-8+/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | RFRVWIKVIQNFCC-PTEJZTFHSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kDiKWiLZca |
|---|---|
| Name | 27-Norcholesta-5,24-dien-3-ol, 25-(1-methylethyl)-, (3.beta.,24E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-19(2)20(3)8-7-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10,19,21,23-27,30H,7,9,11-18H2,1-6H3/b20-8+/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | RFRVWIKVIQNFCC-PTEJZTFHSA-N |
| Molecular Weight | 412.702 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@@](CC\C=C\(C(C)C)C)(C)[H])[H])[H])C |