| SpectraBase Compound ID | EqijYJ7ftxl |
|---|---|
| InChI | InChI=1S/C42H72O15/c1-20(2)23(57-52)10-16-42(8,56-37-35(51)33(49)31(47)25(19-44)54-37)21-9-14-41(7)29(21)22(45)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(50)32(48)30(46)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3/t21-,22+,23?,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1 |
| InChIKey | YQUSSKADRHYVPT-QTYVTQAZSA-N |
| Mol Weight | 817.0 g/mol |
| Molecular Formula | C42H72O15 |
| Exact Mass | 816.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8L7oi9W5K4h |
|---|---|
| Name | FLORALQUINQUENOSIDE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O15 |
| InChI | InChI=1S/C42H72O15/c1-20(2)23(57-52)10-16-42(8,56-37-35(51)33(49)31(47)25(19-44)54-37)21-9-14-41(7)29(21)22(45)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(50)32(48)30(46)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3/t21-,22+,23?,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1 |
| InChIKey | YQUSSKADRHYVPT-QTYVTQAZSA-N |
| Literature Reference Author | S.NAKAMURA,S.SUGIMOTO,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,1342(2007) |
| Literature Reference DOI | 10.1248/cpb.55.1342 |
| Molecular Weight | 817.025 g/mol |
| Sample ID | 56181 |
| Solvent | CDCl3 |