| SpectraBase Compound ID | Cvo8qaAgJ7W |
|---|---|
| InChI | InChI=1S/C25H28O12/c1-9(35-10(2)26)17-12-7-11-5-4-6-14(15(11)18(28)16(12)13(27)8-25(17,3)34)36-24-21(31)19(29)20(30)22(37-24)23(32)33/h4-7,9,17,19-22,24,28-31,34H,8H2,1-3H3,(H,32,33)/t9-,17+,19+,20+,21-,22+,24-,25-/m0/s1 |
| InChIKey | HMHKLPIPMGRQSG-XJBLKILISA-N |
| Mol Weight | 520.49 g/mol |
| Molecular Formula | C25H28O12 |
| Exact Mass | 520.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOIJtPCPbMO |
|---|---|
| Name | JULICHROME_Q_6_GLUCURONIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O12 |
| InChI | InChI=1S/C25H28O12/c1-9(35-10(2)26)17-12-7-11-5-4-6-14(15(11)18(28)16(12)13(27)8-25(17,3)34)36-24-21(31)19(29)20(30)22(37-24)23(32)33/h4-7,9,17,19-22,24,28-31,34H,8H2,1-3H3,(H,32,33)/t9-,17+,19+,20+,21-,22+,24-,25-/m0/s1 |
| InChIKey | HMHKLPIPMGRQSG-XJBLKILISA-N |
| Literature Reference Author | K.A.SHAABAN,M.SHAABAN,I.GRUEN-WOLLNY,A.MAIER,H.H.FIEBIG,H.LA ATSCH |
| Literature Reference Citation | J.NAT.PROD.,70,1545(2007) |
| Literature Reference DOI | 10.1021/np070196h |
| Molecular Weight | 520.490 g/mol |
| Sample ID | 31628 |
| Solvent | DMSO-D6 |