| SpectraBase Compound ID | JckpwoIZciz |
|---|---|
| InChI | InChI=1S/C20H27NO3/c1-9-10-6-11-18-5-3-4-17(2)8-21-14(18)12(13(10)22)19(11,15(9)23)7-20(21,24)16(17)18/h10-16,22-24H,1,3-8H2,2H3/t10?,11?,12?,13?,14?,15-,16?,17+,18?,19?,20?/m1/s1 |
| InChIKey | BHVWAUOMLOBXRD-SQLVMZPWSA-N |
| Mol Weight | 329.44 g/mol |
| Molecular Formula | C20H27NO3 |
| Exact Mass | 329.199094 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4GH0Vrj3yP1 |
|---|---|
| Name | Acorientine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27NO3 |
| InChI | InChI=1S/C20H27NO3/c1-9-10-6-11-18-5-3-4-17(2)8-21-14(18)12(13(10)22)19(11,15(9)23)7-20(21,24)16(17)18/h10-16,22-24H,1,3-8H2,2H3/t10?,11?,12?,13?,14?,15-,16?,17+,18?,19?,20?/m1/s1 |
| InChIKey | BHVWAUOMLOBXRD-SQLVMZPWSA-N |
| Molecular Weight | 329.440 g/mol |
| SMILES | O[C@@]1(C(C2C(C3C4N5C6(CC13C(C41C6[C@](CCC1)(C)C5)C2)O)O)=C)[H] |
| SPLASH | splash10-03di-4902000000-4b2f0e3297051b4d7d9c |
| Source of Spectrum | X3-36-420-3 |
| Wiley ID | 1691843 |