![#6;NEWBOULDIOSIDE-A;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-5-O-SYRINGOYL-BETA-D-APIOFURANOSYLOXY-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/BJl8lqUFbP3/structure.png?h=300&w=458 "#6;NEWBOULDIOSIDE-A;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-5-O-SYRINGOYL-BETA-D-APIOFURANOSYLOXY-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 5aNesKFcB1O |
|---|---|
| InChI | InChI=1S/C34H46O20/c1-14-22(38)25(41)26(42)31(51-14)53-27-24(40)21(11-35)52-32(48-7-6-15-4-5-17(36)18(37)8-15)28(27)54-33-29(43)34(45,13-50-33)12-49-30(44)16-9-19(46-2)23(39)20(10-16)47-3/h4-5,8-10,14,21-22,24-29,31-33,35-43,45H,6-7,11-13H2,1-3H3/t14-,21+,22-,24+,25+,26+,27-,28+,29+,31-,32+,33+,34-/m1/s1 |
| InChIKey | CQFMTQVLSYLJHR-YMLVRJLASA-N |
| Mol Weight | 774.7 g/mol |
| Molecular Formula | C34H46O20 |
| Exact Mass | 774.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJl8lqUFbP3 |
|---|---|
| Name | #6;NEWBOULDIOSIDE-A;BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-5-O-SYRINGOYL-BETA-D-APIOFURANOSYLOXY-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O20 |
| InChI | InChI=1S/C34H46O20/c1-14-22(38)25(41)26(42)31(51-14)53-27-24(40)21(11-35)52-32(48-7-6-15-4-5-17(36)18(37)8-15)28(27)54-33-29(43)34(45,13-50-33)12-49-30(44)16-9-19(46-2)23(39)20(10-16)47-3/h4-5,8-10,14,21-22,24-29,31-33,35-43,45H,6-7,11-13H2,1-3H3/t14-,21+,22-,24+,25+,26+,27-,28+,29+,31-,32+,33+,34-/m1/s1 |
| InChIKey | CQFMTQVLSYLJHR-YMLVRJLASA-N |
| Literature Reference Author | R.GORMANN,M.KALOGA,D.FERREIRA,J.P.J.MARAIS,H.KOLODZIEJ |
| Literature Reference Citation | PHYTOCHEM.,67,805(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.01.016 |
| Molecular Weight | 774.727 g/mol |
| Sample ID | 66176 |
| Solvent | CD3OD |