| SpectraBase Compound ID | ITnraVqwtO1 |
|---|---|
| InChI | InChI=1S/C21H22O11/c22-8-13-16(27)17(28)18(29)20(32-13)21(31)14(26)7-12(25)15(19(21)30)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,13,16-18,20,22-23,26-31H,8H2/b6-3+/t13-,16-,17+,18-,20-,21?/m1/s1 |
| InChIKey | SZLWEOXNJVTSLM-KORFMDAHSA-N |
| Mol Weight | 450.4 g/mol |
| Molecular Formula | C21H22O11 |
| Exact Mass | 450.116212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KILlo94yihd |
|---|---|
| Name | SAFFLOR-METABOLIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O11 |
| InChI | InChI=1S/C21H22O11/c22-8-13-16(27)17(28)18(29)20(32-13)21(31)14(26)7-12(25)15(19(21)30)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,13,16-18,20,22-23,26-31H,8H2/b6-3+/t13-,16-,17+,18-,20-,21?/m1/s1 |
| InChIKey | SZLWEOXNJVTSLM-KORFMDAHSA-N |
| Literature Reference Author | M.R.MESELHY,S.KADOTA,M.HATTORI,T.NAMBA |
| Literature Reference Citation | J.NAT.PROD.,56,39(1993) |
| Literature Reference DOI | 10.1021/np50091a006 |
| Molecular Weight | 450.399 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWTS893 |