| SpectraBase Compound ID | KcrdF3Cb2hS |
|---|---|
| InChI | InChI=1S/C35H55NO2/c1-24(2)10-9-11-25(3)29-16-17-30-28-15-14-27-22-35(38,32(37)36-23-26-12-7-6-8-13-26)21-20-33(27,4)31(28)18-19-34(29,30)5/h6-8,12-13,24-25,27-31,38H,9-11,14-23H2,1-5H3,(H,36,37)/t25-,27?,28+,29-,30+,31+,33+,34-,35-/m1/s1 |
| InChIKey | SYFZKLJSTSPZCY-QUSMUQNJSA-N |
| Mol Weight | 521.8 g/mol |
| Molecular Formula | C35H55NO2 |
| Exact Mass | 521.42328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IBVNG8JXdA |
|---|---|
| Name | N-Benzyl-3-.alpha.-hydroxycholestane-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 521.423280013 u |
| Formula | C35H55NO2 |
| InChI | InChI=1S/C35H55NO2/c1-24(2)10-9-11-25(3)29-16-17-30-28-15-14-27-22-35(38,32(37)36-23-26-12-7-6-8-13-26)21-20-33(27,4)31(28)18-19-34(29,30)5/h6-8,12-13,24-25,27-31,38H,9-11,14-23H2,1-5H3,(H,36,37)/t25-,27?,28+,29-,30+,31+,33+,34-,35-/m1/s1 |
| InChIKey | SYFZKLJSTSPZCY-QUSMUQNJSA-N |
| Molecular Weight | 521.830 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](C(NCC=2C=CC=CC2)=O)(O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |