| SpectraBase Compound ID | E3jjEq117hn |
|---|---|
| InChI | InChI=1S/C29H32O18/c1-8-17(35)21(39)23(41)28(42-8)44-14-6-13(34)16-20(38)26(24(46-25(16)19(14)37)10-3-4-11(32)12(33)5-10)47-29-27(43-9(2)31)22(40)18(36)15(7-30)45-29/h3-6,8,15,17-18,21-23,27-30,32-37,39-41H,7H2,1-2H3/t8-,15-,17-,18-,21+,22+,23+,27-,28-,29+/m1/s1 |
| InChIKey | KHPKIZDPZGSTMI-PTWLPYTMSA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C29H32O18 |
| Exact Mass | 668.158864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjfUY57GMYT |
|---|---|
| Name | SINOCRASSOSIDE-D3;GOSSYPETIN-3-O-BETA-D-(2-O-ACETYL)-GLUCOPYRANOSYL-7-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32O18 |
| InChI | InChI=1S/C29H32O18/c1-8-17(35)21(39)23(41)28(42-8)44-14-6-13(34)16-20(38)26(24(46-25(16)19(14)37)10-3-4-11(32)12(33)5-10)47-29-27(43-9(2)31)22(40)18(36)15(7-30)45-29/h3-6,8,15,17-18,21-23,27-30,32-37,39-41H,7H2,1-2H3/t8-,15-,17-,18-,21+,22+,23+,27-,28-,29+/m1/s1 |
| InChIKey | KHPKIZDPZGSTMI-PTWLPYTMSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,T.WANG,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1438(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1438 |
| Molecular Weight | 668.562 g/mol |
| Sample ID | 2284 |
| Solvent | DMSO-D6 |