| SpectraBase Compound ID | HQXTK6bm63V |
|---|---|
| InChI | InChI=1S/C36H48O18/c1-13-8-17(50-31-23(42)22(41)21(40)18(11-37)51-31)28(44)34(6)16(13)10-19-35-12-49-36(32(47)48-7,29(45)24(43)26(34)35)27(35)25(30(46)52-19)53-20(39)9-14(2)33(4,5)54-15(3)38/h8-9,13,16,18-19,21-27,29,31,37,40-43,45H,10-12H2,1-7H3/b14-9+/t13-,16+,18+,19-,21+,22-,23+,24+,25-,26+,27-,29+,31+,34+,35-,36-/m0/s1 |
| InChIKey | XJIAVYYCXSQJAZ-FACCQVFASA-N |
| Mol Weight | 768.8 g/mol |
| Molecular Formula | C36H48O18 |
| Exact Mass | 768.284065 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 | 7yjcrUPHD4W |
|---|---|
| Name | BRUCEANTINOSIDE-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O18 |
| InChI | InChI=1S/C36H48O18/c1-13-8-17(50-31-23(42)22(41)21(40)18(11-37)51-31)28(44)34(6)16(13)10-19-35-12-49-36(32(47)48-7,29(45)24(43)26(34)35)27(35)25(30(46)52-19)53-20(39)9-14(2)33(4,5)54-15(3)38/h8-9,13,16,18-19,21-27,29,31,37,40-43,45H,10-12H2,1-7H3/b14-9+/t13-,16+,18+,19-,21+,22-,23+,24+,25-,26+,27-,29+,31+,34+,35-,36-/m0/s1 |
| InChIKey | XJIAVYYCXSQJAZ-FACCQVFASA-N |
| Literature Reference Author | N.FUKAMIYA,M.OKANO,K.TAGAHARA,T.ARATANI,Y.MURAMOTO,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,50,1075(1987) |
| Literature Reference DOI | 10.1021/np50054a010 |
| Molecular Weight | 768.766 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS4310 |