| SpectraBase Compound ID | 5leQjVjnwC |
|---|---|
| InChI | InChI=1S/C21H25NO7/c1-11(23)28-15-4-5-17-21(20(15)29-12(2)24)6-7-22(17)9-13-14(21)8-16-19(18(13)25-3)27-10-26-16/h8,15,17,20H,4-7,9-10H2,1-3H3/t15-,17+,20+,21-/m0/s1 |
| InChIKey | DKPKNLDZUOGWFB-IAECCPNBSA-N |
| Mol Weight | 403.43 g/mol |
| Molecular Formula | C21H25NO7 |
| Exact Mass | 403.163102 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4sKzYtHMdXm |
|---|---|
| Name | Bowdensine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H25NO7 |
| InChI | InChI=1S/C21H25NO7/c1-11(23)28-15-4-5-17-21(20(15)29-12(2)24)6-7-22(17)9-13-14(21)8-16-19(18(13)25-3)27-10-26-16/h8,15,17,20H,4-7,9-10H2,1-3H3/t15-,17+,20+,21-/m0/s1 |
| InChIKey | DKPKNLDZUOGWFB-IAECCPNBSA-N |
| Instrument Name | Agilent 6890N-5975 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1016/j.arabjc.2015.07.009 |
| Molecular Weight | 403.431 g/mol |
| SMILES | c12c(c3c(cc2OCO1)[C@@]12[C@](N(C3)CC2)(CC[C@@]([C@]1(OC(=O)C)[H])(OC(C)=O)[H])[H])OC |
| SPLASH | splash10-0uec-2094500000-0f494309e710f20a4184 |
| Source of Spectrum | AJC-9-690-2 |
| Wiley ID | 1857042 |