| SpectraBase Compound ID | CQNIFudTkyp |
|---|---|
| InChI | InChI=1S/C29H39NO9/c1-7-12(2)23(35)38-17-10-27-19-16-9-26-8-13(3)18(21(34)29(26,27)39-15(5)32)20(33)28(26,36)24(27)30(16)11-25(19,6)22(17)37-14(4)31/h12,16-22,24,33-34,36H,3,7-11H2,1-2,4-6H3/t12?,16-,17+,18-,19+,20+,21+,22+,24-,25-,26-,27+,28+,29-/m0/s1 |
| InChIKey | NGOALRAWGUHGGI-BWTJSBHTSA-N |
| Mol Weight | 545.6 g/mol |
| Molecular Formula | C29H39NO9 |
| Exact Mass | 545.262482 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 | 5tjxWpPUwdp |
|---|---|
| Name | 9-O-ACETYLGLANDULINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H39NO9 |
| InChI | InChI=1S/C29H39NO9/c1-7-12(2)23(35)38-17-10-27-19-16-9-26-8-13(3)18(21(34)29(26,27)39-15(5)32)20(33)28(26,36)24(27)30(16)11-25(19,6)22(17)37-14(4)31/h12,16-22,24,33-34,36H,3,7-11H2,1-2,4-6H3/t12?,16-,17+,18-,19+,20+,21+,22+,24-,25-,26-,27+,28+,29-/m0/s1 |
| InChIKey | NGOALRAWGUHGGI-BWTJSBHTSA-N |
| Literature Reference Author | L.RUIZ-MESIA,A.MADIAVEITIA,M.REINA,M.L.RODRIGUEZ,G.DELAFUENT E,W.RUIZ-MESIA |
| Literature Reference Citation | J.NAT.PROD.,65,496(2002) |
| Literature Reference DOI | 10.1021/np0103416 |
| Molecular Weight | 545.630 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI5568 |