| SpectraBase Compound ID | 1pyNe3c52b |
|---|---|
| InChI | InChI=1S/C43H50N4O7/c1-51-29-9-5-7-27-31(29)47-23-40(21-24-20-38-13-18-53-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)50)36-39(14-19-54-36)22-25(33(48)52-2)32-41(11-17-46(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-37,44,49-50H,10-23H2,1-2H3 |
| InChIKey | HUWNUSVUJDHPHX-UHFFFAOYSA-N |
| Mol Weight | 734.9 g/mol |
| Molecular Formula | C43H50N4O7 |
| Exact Mass | 734.36795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JgQlcp4xeUS |
|---|---|
| Name | Vobtusine, 8-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 734.367949959 u |
| Formula | C43H50N4O7 |
| InChI | InChI=1S/C43H50N4O7/c1-51-29-9-5-7-27-31(29)47-23-40(21-24-20-38-13-18-53-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)50)36-39(14-19-54-36)22-25(33(48)52-2)32-41(11-17-46(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-37,44,49-50H,10-23H2,1-2H3 |
| InChIKey | HUWNUSVUJDHPHX-UHFFFAOYSA-N |
| Molecular Weight | 734.894 g/mol |
| SMILES | C123C4(N(CC5(CC4CC46C1N(CCC6OCC4)CC3)C(N1C3C4(C(NC=6C4=CC=CC6)=C(CC33C5OCC3)C(=O)OC)CC1)O)C1=C2C=CC=C1OC)O |