| SpectraBase Compound ID | DTM2pVvOBl9 |
|---|---|
| InChI | InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)32(51-16)49-13-23-29(53-24(40)8-5-17-4-7-20(38)22(12-17)47-2)30(54-34-31(45)35(46,14-36)15-50-34)28(44)33(52-23)48-10-9-18-3-6-19(37)21(39)11-18/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23-,25-,26+,27+,28-,29-,30-,31-,32+,33-,34-,35+/m1/s1 |
| InChIKey | NCXJQFUHMLGTIE-HQLYMFIXSA-N |
| Mol Weight | 770.7 g/mol |
| Molecular Formula | C35H46O19 |
| Exact Mass | 770.263329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTbVXbgyQ6O |
|---|---|
| Name | PEDICULARIOSIDE-M;#3;1'-O-BETA-D-(3,4-DIHYDROXY-BETA-PHENYL)-ETHYL-4'-O-FERULOYL-BETA-D-APIOFURANOSYL-(1->3')-ALPHA-L-RHAMNOPYRANOSYL-(1->6')-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O19 |
| InChI | InChI=1S/C35H46O19/c1-16-25(41)26(42)27(43)32(51-16)49-13-23-29(53-24(40)8-5-17-4-7-20(38)22(12-17)47-2)30(54-34-31(45)35(46,14-36)15-50-34)28(44)33(52-23)48-10-9-18-3-6-19(37)21(39)11-18/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23-,25-,26+,27+,28-,29-,30-,31-,32+,33-,34-,35+/m1/s1 |
| InChIKey | NCXJQFUHMLGTIE-HQLYMFIXSA-N |
| Literature Reference Author | J.ZHONG-JIAN,G.JIAN-JUN |
| Literature Reference Citation | PHYTOCHEM.,34,1188(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90744-1 |
| Molecular Weight | 770.739 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN6573 |