| SpectraBase Compound ID | 8hXrK3VHW10 |
|---|---|
| InChI | InChI=1S/C42H72O15/c1-19(2)23(57-52)11-15-42(9,51)21-10-14-40(7)28(21)22(44)16-26-39(6)13-12-27(45)38(4,5)35(39)24(17-41(26,40)8)54-37-34(32(49)30(47)25(18-43)55-37)56-36-33(50)31(48)29(46)20(3)53-36/h20-37,43-52H,1,10-18H2,2-9H3/t20-,21+,22-,23?,24+,25+,26-,27+,28+,29-,30+,31+,32-,33+,34+,35+,36-,37+,39-,40-,41-,42?/m1/s1 |
| InChIKey | YDVZWJBDTALPRC-MNUUXNKISA-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 | D6bttt2mEho |
|---|---|
| Name | FLORALQUINQUENOSIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O15 |
| InChI | InChI=1S/C42H72O15/c1-19(2)23(57-52)11-15-42(9,51)21-10-14-40(7)28(21)22(44)16-26-39(6)13-12-27(45)38(4,5)35(39)24(17-41(26,40)8)54-37-34(32(49)30(47)25(18-43)55-37)56-36-33(50)31(48)29(46)20(3)53-36/h20-37,43-52H,1,10-18H2,2-9H3/t20-,21+,22-,23?,24+,25+,26-,27+,28+,29-,30+,31+,32-,33+,34+,35+,36-,37+,39-,40-,41-,42?/m1/s1 |
| InChIKey | YDVZWJBDTALPRC-MNUUXNKISA-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 | 56179 |
| Solvent | CDCl3 |