| SpectraBase Compound ID | I1GKncj6MAb |
|---|---|
| InChI | InChI=1S/C26H38O11/c1-12-4-7-16-25(2,14(12)6-5-13-15(27)10-35-23(13)34)9-8-17(28)26(16,3)11-36-24-20(31)18(29)19(30)21(37-24)22(32)33/h5,14-21,24,27-31H,1,4,6-11H2,2-3H3,(H,32,33)/b13-5-/t14-,15?,16+,17-,18+,19+,20-,21+,24-,25+,26+/m1/s1 |
| InChIKey | VSLYUJKUOSBOCP-PSVZKRRQSA-N |
| Mol Weight | 526.6 g/mol |
| Molecular Formula | C26H38O11 |
| Exact Mass | 526.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QyQ1OSEK1D |
|---|---|
| Name | ISOANDROGRAPHOLIDE-19-O-BETA-D-GLUCURONIDE |
| Compound Number | M2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38O11 |
| InChI | InChI=1S/C26H38O11/c1-12-4-7-16-25(2,14(12)6-5-13-15(27)10-35-23(13)34)9-8-17(28)26(16,3)11-36-24-20(31)18(29)19(30)21(37-24)22(32)33/h5,14-21,24,27-31H,1,4,6-11H2,2-3H3,(H,32,33)/b13-5-/t14-,15?,16+,17-,18+,19+,20-,21+,24-,25+,26+/m1/s1 |
| InChIKey | VSLYUJKUOSBOCP-PSVZKRRQSA-N |
| Literature Reference Author | L.CUI,F.QIU,X.YAO |
| Literature Reference Citation | DRUG.MET.DISP.,33,555(2005) |
| Literature Reference DOI | 10.1124/dmd.104.001958 |
| Molecular Weight | 526.581 g/mol |
| Source File Reference | UWLU74259 |