| SpectraBase Compound ID | A7A6hGMOSG3 |
|---|---|
| InChI | InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h9,13,18,21-24,28H,10-12,14-17H2,1-8H3/t18?,21-,22?,23-,24+,26-,27+/m1/s1 |
| InChIKey | MCUIFTSRCMJFBJ-XNLGOMHNSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C27H46N2 |
| Exact Mass | 398.366099 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E6CEUKcu0sI |
|---|---|
| Name | Buxopapine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46N2 |
| InChI | InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/h9,13,18,21-24,28H,10-12,14-17H2,1-8H3/t18?,21-,22?,23-,24+,26-,27+/m1/s1 |
| InChIKey | MCUIFTSRCMJFBJ-XNLGOMHNSA-N |
| Molecular Weight | 398.679 g/mol |
| SMILES | N([C@@]1(C(C2CC[C@]3([C@]4([C@@]([C@@](C(N(C)C)C)(CC4)[H])(CC=C3CC2=CC1)C)C)[H])(C)C)[H])C |
| SPLASH | splash10-00di-9000000000-a5f0ba4ea1144284343f |
| Source of Spectrum | X2-50-88-4 |
| Wiley ID | 1602128 |