| SpectraBase Compound ID | DDDJXg6Zfnw |
|---|---|
| InChI | InChI=1S/C36H56NO3/c1-25(16-21-36(6)37(38)33(2,3)24-40-36)30-14-15-31-29-13-12-27-22-28(39-23-26-10-8-7-9-11-26)17-19-34(27,4)32(29)18-20-35(30,31)5/h7-11,25,27-32H,12-24H2,1-6H3/t25-,27-,28-,29+,30-,31+,32+,34+,35-,36?/m1/s1 |
| InChIKey | BVMQIHVSROSKFY-SXOBAJDXSA-N |
| Mol Weight | 551.9 g/mol |
| Molecular Formula | C36H57NO3 |
| Exact Mass | 551.433845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LwNNHU1Ekjq |
|---|---|
| Name | 2'-(3.alpha.-Benzyloxy-24-norcholan-23-yl)-2',4',4'-trimethyl-4',5'-dihydrooxazoline-N-oxyl |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H56NO3 |
| InChI | InChI=1S/C36H56NO3/c1-25(16-21-36(6)37(38)33(2,3)24-40-36)30-14-15-31-29-13-12-27-22-28(39-23-26-10-8-7-9-11-26)17-19-34(27,4)32(29)18-20-35(30,31)5/h7-11,25,27-32H,12-24H2,1-6H3/t25-,27-,28-,29+,30-,31+,32+,34+,35-,36?/m1/s1 |
| InChIKey | BVMQIHVSROSKFY-SXOBAJDXSA-N |
| Molecular Weight | 551.856 g/mol |
| SMILES | ON1C(CC[C@]([C@@]2([C@@]3([C@]([C@@]4(CC[C@]5([C@@]([C@]4(CC3)[H])(CC[C@@](OCc3ccccc3)(C5)[H])C)[H])[H])(CC2)[H])C)[H])(C)[H])(OCC1(C)C)C |
| SPLASH | splash10-01ox-9811530000-8722a00a5bb62b1f0c42 |
| Source of Spectrum | F-48-145-7 |
| Wiley ID | 1405788 |