| SpectraBase Compound ID | B2W39IBWavA |
|---|---|
| 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+/m1/s1 |
| InChIKey | XJIAVYYCXSQJAZ-OKYIUUBCSA-N |
| Mol Weight | 768.8 g/mol |
| Molecular Formula | C36H48O18 |
| Exact Mass | 768.284065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LggY1pkYjMS |
|---|---|
| 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+/m1/s1 |
| InChIKey | XJIAVYYCXSQJAZ-OKYIUUBCSA-N |
| Literature Reference Author | M.OKANO,N.FUKAMIYA,T.TOYOTA,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,52,398(1989) |
| Literature Reference DOI | 10.1021/np50062a033 |
| Molecular Weight | 768.766 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWTS1110 |