![UMBILICAXANTHOSIDE-B;7-[(BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL)-OXY]-1,5-DIHYDROXY-4-METHOXY-2,8-DI-(3-METHYL-2-BUTENYL)-9H-XANTHEN-9-](/api/spectrum/EBBFQ9zbvB2/structure.png?h=300&w=458 "UMBILICAXANTHOSIDE-B;7-[(BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL)-OXY]-1,5-DIHYDROXY-4-METHOXY-2,8-DI-(3-METHYL-2-BUTENYL)-9H-XANTHEN-9-")
| SpectraBase Compound ID | Ira13S0ycac |
|---|---|
| InChI | InChI=1S/C36H46O16/c1-14(2)6-8-16-10-20(47-5)33-24(25(16)40)27(42)23-17(9-7-15(3)4)19(11-18(39)32(23)51-33)48-35-31(46)29(44)34(22(13-38)50-35)52-36-30(45)28(43)26(41)21(12-37)49-36/h6-7,10-11,21-22,26,28-31,34-41,43-46H,8-9,12-13H2,1-5H3/t21-,22+,26-,28+,29+,30-,31+,34+,35+,36+/m1/s1 |
| InChIKey | YLEGIEQVRCJSJM-OZEQDLLHSA-N |
| Mol Weight | 734.7 g/mol |
| Molecular Formula | C36H46O16 |
| Exact Mass | 734.278585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBBFQ9zbvB2 |
|---|---|
| Name | UMBILICAXANTHOSIDE-B;7-[(BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL)-OXY]-1,5-DIHYDROXY-4-METHOXY-2,8-DI-(3-METHYL-2-BUTENYL)-9H-XANTHEN-9- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O16 |
| InChI | InChI=1S/C36H46O16/c1-14(2)6-8-16-10-20(47-5)33-24(25(16)40)27(42)23-17(9-7-15(3)4)19(11-18(39)32(23)51-33)48-35-31(46)29(44)34(22(13-38)50-35)52-36-30(45)28(43)26(41)21(12-37)49-36/h6-7,10-11,21-22,26,28-31,34-41,43-46H,8-9,12-13H2,1-5H3/t21-,22+,26-,28+,29+,30-,31+,34+,35+,36+/m1/s1 |
| InChIKey | YLEGIEQVRCJSJM-OZEQDLLHSA-N |
| Literature Reference Author | T.REZANKA,J.JACHYMOVA,V.M.DEMBITSKY |
| Literature Reference Citation | PHYTOCHEM.,62,607(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00539-3 |
| Molecular Weight | 734.752 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN26878 |