| SpectraBase Compound ID | AyNSZZrUArB |
|---|---|
| InChI | InChI=1S/C41H66O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,20,22-34,42-49,51H,8-19H2,1-6H3/t20-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,36+,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | OQQOYQUBUVPAAU-IHTHYQCPSA-N |
| Mol Weight | 783.0 g/mol |
| Molecular Formula | C41H66O14 |
| Exact Mass | 782.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pdzE5aw7nT |
|---|---|
| Name | ILEXOSIDE-XXVII;3-O-ALPHA-L-ARABINOPYRANOSYL-23-ROTUNDIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O14 |
| InChI | InChI=1S/C41H66O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,20,22-34,42-49,51H,8-19H2,1-6H3/t20-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,36+,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | OQQOYQUBUVPAAU-IHTHYQCPSA-N |
| Literature Reference Author | I.YANO,C.NISHIIZUMI,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,32,417(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95006-4 |
| Molecular Weight | 782.967 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4524 |