| SpectraBase Compound ID | GjRPKA8XXDu |
|---|---|
| InChI | InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-17-20(33)23(36)25(38)28(43-17)44-26-16(39-2)7-15-18(21(26)34)13(31)6-14(42-15)10-3-4-11(29)12(30)5-10/h3-7,9,17,19-20,22-25,27-30,32-38H,8H2,1-2H3/t9-,17-,19-,20-,22+,23+,24+,25-,27+,28+/m1/s1 |
| InChIKey | MTUPEWBIUKFRBD-IZYBBZCQSA-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 | 8FJDlPwYzXo |
|---|---|
| Name | NITENSOSIDE-B;PEDALITIN-6-O-ALPHA-RHAMNOPYRANOSYL-(1'''->6'')-BETA-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O16 |
| InChI | InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(41-9)40-8-17-20(33)23(36)25(38)28(43-17)44-26-16(39-2)7-15-18(21(26)34)13(31)6-14(42-15)10-3-4-11(29)12(30)5-10/h3-7,9,17,19-20,22-25,27-30,32-38H,8H2,1-2H3/t9-,17-,19-,20-,22+,23+,24+,25-,27+,28+/m1/s1 |
| InChIKey | MTUPEWBIUKFRBD-IZYBBZCQSA-N |
| Literature Reference Author | D.C.FERNANDES,L.O.REGASINI,J.C.R.VELLOSA,P.M.PAULETTI,I.CAST RO-GAMBOA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,723(2008) |
| Literature Reference DOI | 10.1248/cpb.56.723 |
| Molecular Weight | 624.552 g/mol |
| Sample ID | 1729 |
| Solvent | DMSO-D6 |