| SpectraBase Compound ID | 3uO1qFrW29u |
|---|---|
| InChI | InChI=1S/C44H60O5/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-25-36-34(9)40(39(46)27-38(36)45)41-35(10)42(47)44(49)37(43(41)48)26-24-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23-24,27,45-46,49H,11-14,17-18,21-22,25-26H2,1-10H3/b30-19+,31-20+,32-23+,33-24+ |
| InChIKey | AAJBNCIQOCECIN-OAEQVLRSSA-N |
| Mol Weight | 669.0 g/mol |
| Molecular Formula | C44H60O5 |
| Exact Mass | 668.444075 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2qRERqiZs7P |
|---|---|
| Name | Albatrelin E |
| Appearance | Deep yellow powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H60O5 |
| InChI | InChI=1S/C44H60O5/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-25-36-34(9)40(39(46)27-38(36)45)41-35(10)42(47)44(49)37(43(41)48)26-24-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23-24,27,45-46,49H,11-14,17-18,21-22,25-26H2,1-10H3/b30-19+,31-20+,32-23+,33-24+ |
| InChIKey | AAJBNCIQOCECIN-OAEQVLRSSA-N |
| Instrument Name | API QSTAR/VG Autospec-3000 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np300751m |
| Molecular Weight | 668.959 g/mol |
| Reported Formula | C44H60O5 |
| SMILES | Oc1c(c(c(c(c1)O)C=1C(C(=C(C(C1C)=O)O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH | splash10-014i-6000039000-2d71cab4691dc490723f |
| Source of Spectrum | G4-76-84-5 |
| Wiley ID | 1854853 |