| SpectraBase Compound ID | 1uaM1bjbXNb |
|---|---|
| InChI | InChI=1S/C35H54O14/c1-16-29(49-31-27(41)25(39)24(38)22(14-36)48-31)26(40)28(42)30(46-16)47-19-6-8-32(2)17(12-19)4-5-21-20(32)7-9-33(3)34(43,10-11-35(21,33)44)18-13-23(37)45-15-18/h13,16-17,19-22,24-31,36,38-44H,4-12,14-15H2,1-3H3/t16-,17+,19+,20+,21-,22+,24+,25-,26+,27+,28-,29-,30+,31-,32+,33-,34-,35+/m1/s1 |
| InChIKey | VPNJMCHIPMXNPB-PUTCTYEDSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C35H54O14 |
| Exact Mass | 698.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Y2dqdQ6EtO |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-BETA-D-ALLOPYRANOSYL-17-BETA-HYDROXYUZARIGENIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O14 |
| InChI | InChI=1S/C35H54O14/c1-16-29(49-31-27(41)25(39)24(38)22(14-36)48-31)26(40)28(42)30(46-16)47-19-6-8-32(2)17(12-19)4-5-21-20(32)7-9-33(3)34(43,10-11-35(21,33)44)18-13-23(37)45-15-18/h13,16-17,19-22,24-31,36,38-44H,4-12,14-15H2,1-3H3/t16-,17+,19+,20+,21-,22+,24+,25-,26+,27+,28-,29-,30+,31-,32+,33-,34-,35+/m1/s1 |
| InChIKey | VPNJMCHIPMXNPB-PUTCTYEDSA-N |
| Literature Reference Author | J.J.ARAYA,K.KINDSCHER,B.N.TIMMERMANN |
| Literature Reference Citation | J.NAT.PROD.,75,400(2012) |
| Literature Reference DOI | 10.1021/np2008076 |
| Molecular Weight | 698.805 g/mol |
| Sample ID | 40143 |
| Solvent | C5D5N |