| SpectraBase Compound ID | C58pcvpr04e |
|---|---|
| InChI | InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-32(29)47-23-38(18-24-19-40-21-31(48)54-30(40)10-14-45-16-12-42(27,36(40)45)43(24,47)50)22-46-15-11-41-26-6-3-4-8-28(26)44-33(41)25(34(49)52-2)20-39(35(41)46)13-17-53-37(38)39/h3-9,24-25,30,35-37,50H,10-23H2,1-2H3 |
| InChIKey | DCEOTWIDODPEGT-UHFFFAOYSA-N |
| Mol Weight | 732.9 g/mol |
| Molecular Formula | C43H48N4O7 |
| Exact Mass | 732.3523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADJvinxnXYU |
|---|---|
| Name | Vobtusine, 21'-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 732.352299895 u |
| Formula | C43H48N4O7 |
| InChI | InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-32(29)47-23-38(18-24-19-40-21-31(48)54-30(40)10-14-45-16-12-42(27,36(40)45)43(24,47)50)22-46-15-11-41-26-6-3-4-8-28(26)44-33(41)25(34(49)52-2)20-39(35(41)46)13-17-53-37(38)39/h3-9,24-25,30,35-37,50H,10-23H2,1-2H3 |
| InChIKey | DCEOTWIDODPEGT-UHFFFAOYSA-N |
| Molecular Weight | 732.878 g/mol |
| SMILES | C123C4(N(CC5(C6C7(CC(C(=O)OC)C=8C9(C7N(C5)CC9)C5=C(C=CC=C5)N8)CCO6)CC4CC45C3N(CCC5OC(C4)=O)CC2)C=2C1=CC=CC2OC)O |