| SpectraBase Compound ID | 6BLhAtHVwEH |
|---|---|
| InChI | InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m1/s1 |
| InChIKey | QHLKSZBFIJJREC-KRCOFCBJSA-N |
| Mol Weight | 624.5 g/mol |
| Molecular Formula | C28H32O16 |
| Exact Mass | 624.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PVCROorwOx |
|---|---|
| Name | 3-O-BETA-NEOHESPERIDOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O16 |
| InChI | InChI=1S/C28H32O16/c1-9-18(33)21(36)23(38)27(40-9)44-26-22(37)19(34)16(8-29)42-28(26)43-25-20(35)17-13(32)6-11(30)7-15(17)41-24(25)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18-19,21-23,26-34,36-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,26+,27-,28-/m1/s1 |
| InChIKey | QHLKSZBFIJJREC-KRCOFCBJSA-N |
| Literature Reference Author | K.R.L.FREIRE,A.C.S.LINS,M.C.DOREA,F.A.R.SANTOS,C.A.CAMARA,T. M.S.SILVA |
| Literature Reference Citation | MOLECULES,17,1652(2012) |
| Literature Reference DOI | 10.3390/molecules17021652 |
| Molecular Weight | 624.552 g/mol |
| Sample ID | 73120 |
| Solvent | DMSO-D6 |