| SpectraBase Compound ID | KP2XSB8CBhN |
|---|---|
| InChI | InChI=1S/C48H58O29/c1-14-28(51)32(55)35(58)44(71-14)73-21-6-23-22(68-12-69-23)5-17(21)25-26-16(3-4-20-38(26)70-13-67-20)37(18-7-63-42(61)27(18)25)75-46-40(77-47-41(60)48(62,10-49)11-66-47)39(76-45-36(59)33(56)29(52)15(2)72-45)31(54)24(74-46)9-65-43-34(57)30(53)19(50)8-64-43/h3-6,14-15,19,24,28-36,39-41,43-47,49-60,62H,7-13H2,1-2H3/t14-,15-,19+,24+,28-,29-,30-,31+,32+,33+,34+,35-,36+,39-,40+,41-,43-,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | HVJFERTWOLDIQF-DTHPVEPPSA-N |
| Mol Weight | 1099.0 g/mol |
| Molecular Formula | C48H58O29 |
| Exact Mass | 1098.306377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5U0kh2lnyN |
|---|---|
| Name | HVJFERTWOLDIQF-DTHPVEPPSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H58O29 |
| InChI | InChI=1S/C48H58O29/c1-14-28(51)32(55)35(58)44(71-14)73-21-6-23-22(68-12-69-23)5-17(21)25-26-16(3-4-20-38(26)70-13-67-20)37(18-7-63-42(61)27(18)25)75-46-40(77-47-41(60)48(62,10-49)11-66-47)39(76-45-36(59)33(56)29(52)15(2)72-45)31(54)24(74-46)9-65-43-34(57)30(53)19(50)8-64-43/h3-6,14-15,19,24,28-36,39-41,43-47,49-60,62H,7-13H2,1-2H3/t14-,15-,19+,24+,28-,29-,30-,31+,32+,33+,34+,35-,36+,39-,40+,41-,43-,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | HVJFERTWOLDIQF-DTHPVEPPSA-N |
| Literature Reference Author | T.REZANKA,P.REZANKA,K.SIGLER |
| Literature Reference Citation | PHYTOCHEM.,70,1049(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.05.016 |
| Molecular Weight | 1098.971 g/mol |
| Sample ID | 45526 |
| Solvent | DMSO-D6 |
| SpectraBase Batch ID | EI2BJ0G2NG |