![N-[3.alpha.,7.beta.-dihydroxy-3.beta.-methyl-24-oxo-5.beta.-cholan-24-yl]-benzylamine](/api/spectrum/7UDVWyT3W24/structure.png?h=300&w=458 "N-[3.alpha.,7.beta.-dihydroxy-3.beta.-methyl-24-oxo-5.beta.-cholan-24-yl]-benzylamine")
| SpectraBase Compound ID | BPZQHHPen7E |
|---|---|
| InChI | InChI=1S/C32H49NO3/c1-21(10-13-28(35)33-20-22-8-6-5-7-9-22)24-11-12-25-29-26(14-15-32(24,25)4)31(3)17-16-30(2,36)19-23(31)18-27(29)34/h5-9,21,23-27,29,34,36H,10-20H2,1-4H3,(H,33,35)/t21-,23-,24-,25?,26?,27+,29?,30-,31+,32-/m1/s1 |
| InChIKey | YGWOWIYQSBRMBO-ZVVAGISOSA-N |
| Mol Weight | 495.7 g/mol |
| Molecular Formula | C32H49NO3 |
| Exact Mass | 495.371244 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7UDVWyT3W24 |
|---|---|
| Name | N-[3.alpha.,7.beta.-dihydroxy-3.beta.-methyl-24-oxo-5.beta.-cholan-24-yl]-benzylamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H49NO3 |
| InChI | InChI=1S/C32H49NO3/c1-21(10-13-28(35)33-20-22-8-6-5-7-9-22)24-11-12-25-29-26(14-15-32(24,25)4)31(3)17-16-30(2,36)19-23(31)18-27(29)34/h5-9,21,23-27,29,34,36H,10-20H2,1-4H3,(H,33,35)/t21-,23-,24-,25?,26?,27+,29?,30-,31+,32-/m1/s1 |
| InChIKey | YGWOWIYQSBRMBO-ZVVAGISOSA-N |
| Molecular Weight | 495.748 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](C[C@@](C3C4[C@@]([C@@]([C@@](CCC(NCc5ccccc5)=O)(C)[H])(CC4)[H])(CCC23)C)(O)[H])(C1)[H])C)C |
| SPLASH | splash10-066r-0191400000-4cfa877eb962562b3514 |
| Source of Spectrum | BP-34-3-4a |
| Wiley ID | 1669357 |