| SpectraBase Compound ID | 1wJ3hwyUmup |
|---|---|
| InChI | InChI=1S/C33H42O15/c1-15(2)4-10-18-20(46-33-31(43)29(41)27(39)23(14-35)48-33)12-21(44-3)24(25(18)37)19(36)11-7-16-5-8-17(9-6-16)45-32-30(42)28(40)26(38)22(13-34)47-32/h4-9,11-12,22-23,26-35,37-43H,10,13-14H2,1-3H3/b11-7+/t22-,23+,26-,27+,28+,29-,30-,31+,32-,33+/m1/s1 |
| InChIKey | IGMINBWEODEWHY-CSKJYDOQSA-N |
| Mol Weight | 678.7 g/mol |
| Molecular Formula | C33H42O15 |
| Exact Mass | 678.252371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G29X4GtkXxm |
|---|---|
| Name | XANTHOHUMOL_4,4'-O-BETA-DIGLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O15 |
| InChI | InChI=1S/C33H42O15/c1-15(2)4-10-18-20(46-33-31(43)29(41)27(39)23(14-35)48-33)12-21(44-3)24(25(18)37)19(36)11-7-16-5-8-17(9-6-16)45-32-30(42)28(40)26(38)22(13-34)47-32/h4-9,11-12,22-23,26-35,37-43H,10,13-14H2,1-3H3/b11-7+/t22-,23+,26-,27+,28+,29-,30-,31+,32-,33+/m1/s1 |
| InChIKey | IGMINBWEODEWHY-CSKJYDOQSA-N |
| Literature Reference Author | H.J.KIM,I.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,69,1522(2006) |
| Literature Reference DOI | 10.1021/np060310g |
| Molecular Weight | 678.687 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ17129 |