| SpectraBase Compound ID | 4dWU3geJI1d |
|---|---|
| InChI | InChI=1S/C35H46O19/c1-16-25(41)27(43)28(44)32(51-16)53-29-26(42)23(13-49-24(40)8-5-17-4-7-20(38)22(12-17)47-2)52-33(48-10-9-18-3-6-19(37)21(39)11-18)30(29)54-34-31(45)35(46,14-36)15-50-34/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,25-,26+,27+,28+,29-,30+,31+,32-,33+,34+,35-/m1/s1 |
| InChIKey | SSINDPAYUSUNDH-KFZHRDIOSA-N |
| Mol Weight | 770.7 g/mol |
| Molecular Formula | C35H46O19 |
| Exact Mass | 770.263329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqNIeECiRxe |
|---|---|
| Name | NEWBOULDIOSIDE;2-(3,4-DIHYDROXYPHENYL)-ETHYL-O-BETA-D-APIOFURANOSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-6-O-E-FERULOYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O19 |
| InChI | InChI=1S/C35H46O19/c1-16-25(41)27(43)28(44)32(51-16)53-29-26(42)23(13-49-24(40)8-5-17-4-7-20(38)22(12-17)47-2)52-33(48-10-9-18-3-6-19(37)21(39)11-18)30(29)54-34-31(45)35(46,14-36)15-50-34/h3-8,11-12,16,23,25-34,36-39,41-46H,9-10,13-15H2,1-2H3/b8-5+/t16-,23+,25-,26+,27+,28+,29-,30+,31+,32-,33+,34+,35-/m1/s1 |
| InChIKey | SSINDPAYUSUNDH-KFZHRDIOSA-N |
| Literature Reference Author | S.GAFNER,J.L.WOLFENDER,M.NIANGA,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,44,687(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00611-5 |
| Molecular Weight | 770.739 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPA241 |