| SpectraBase Compound ID | FL5Ls78QBNY |
|---|---|
| InChI | InChI=1S/C29H40O10/c1-13-23(33)24(34)25(35)26(38-13)39-20-9-15-4-5-17-22(27(15,2)10-18(20)30)19(31)11-28(3)16(6-7-29(17,28)36)14-8-21(32)37-12-14/h6,8,13,15,17-18,20,22-26,30,33-36H,4-5,7,9-12H2,1-3H3/t13-,15+,17+,18+,20+,22+,23-,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | XIRUXYGMYOAAED-METXSPIQSA-N |
| Mol Weight | 548.6 g/mol |
| Molecular Formula | C29H40O10 |
| Exact Mass | 548.262147 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 | JqsZQ5Qah7F |
|---|---|
| Name | AFFINOSIDE-S-III,(2-ALPHA-OH,3-BETA-O-(6'-DESOXY-GULOSID),5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O10 |
| InChI | InChI=1S/C29H40O10/c1-13-23(33)24(34)25(35)26(38-13)39-20-9-15-4-5-17-22(27(15,2)10-18(20)30)19(31)11-28(3)16(6-7-29(17,28)36)14-8-21(32)37-12-14/h6,8,13,15,17-18,20,22-26,30,33-36H,4-5,7,9-12H2,1-3H3/t13-,15+,17+,18+,20+,22+,23-,24+,25-,26+,27-,28+,29-/m0/s1 |
| InChIKey | XIRUXYGMYOAAED-METXSPIQSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,1199(1983) |
| Literature Reference DOI | 10.1248/cpb.31.1199 |
| Molecular Weight | 548.631 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW8483 |