| SpectraBase Compound ID | 8gYAIqKUg3g |
|---|---|
| InChI | InChI=1S/C35H46O18/c1-12(32(4,5)53-14(3)37)7-19(38)52-25-27-34-11-48-35(27,31(46)47)28(44)24(43)26(34)33(6)9-16(20(39)13(2)15(33)8-18(34)51-29(25)45)49-30-23(42)22(41)21(40)17(10-36)50-30/h7,9,13,15,17-18,21-28,30,36,40-44H,8,10-11H2,1-6H3,(H,46,47)/b12-7+/t13-,15-,17-,18+,21-,22+,23-,24+,25+,26+,27+,28-,30-,33-,34+,35-/m0/s1 |
| InChIKey | HLVUVKGKEFOUCN-QMSQEGEQSA-N |
| Mol Weight | 754.7 g/mol |
| Molecular Formula | C35H46O18 |
| Exact Mass | 754.268415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfpSW6zzoYX |
|---|---|
| Name | BRUCEOSIDE-F |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O18 |
| InChI | InChI=1S/C35H46O18/c1-12(32(4,5)53-14(3)37)7-19(38)52-25-27-34-11-48-35(27,31(46)47)28(44)24(43)26(34)33(6)9-16(20(39)13(2)15(33)8-18(34)51-29(25)45)49-30-23(42)22(41)21(40)17(10-36)50-30/h7,9,13,15,17-18,21-28,30,36,40-44H,8,10-11H2,1-6H3,(H,46,47)/b12-7+/t13-,15-,17-,18+,21-,22+,23-,24+,25+,26+,27+,28-,30-,33-,34+,35-/m0/s1 |
| InChIKey | HLVUVKGKEFOUCN-QMSQEGEQSA-N |
| Literature Reference Author | S.OHNISHI,N.FUKAMIYA,M.OKANO,K.TAGAHARA,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,58,1032(1995) |
| Literature Reference DOI | 10.1021/np50121a007 |
| Molecular Weight | 754.739 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP6658 |