| SpectraBase Compound ID | HLmj2BLv7oZ |
|---|---|
| InChI | InChI=1S/C23H28O9/c1-10-7-17(30-22(28)23(6,32-14(5)25)9-29-13(4)24)19-12(3)21(27)31-20(19)18-11(2)16(26)8-15(10)18/h11,15,17-20H,1,3,7-9H2,2,4-6H3/t11-,15+,17+,18+,19-,20-,23?/m1/s1 |
| InChIKey | ZBDYPRYDIKAOFP-HVXPWAMOSA-N |
| Mol Weight | 448.47 g/mol |
| Molecular Formula | C23H28O9 |
| Exact Mass | 448.173332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CU7nw7ABF4u |
|---|---|
| Name | GROSSHEMIN-ALPHA,BETA-DIHYDROXY-ACETYL-ISOBUTYRATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O9 |
| InChI | InChI=1S/C23H28O9/c1-10-7-17(30-22(28)23(6,32-14(5)25)9-29-13(4)24)19-12(3)21(27)31-20(19)18-11(2)16(26)8-15(10)18/h11,15,17-20H,1,3,7-9H2,2,4-6H3/t11-,15+,17+,18+,19-,20-,23?/m1/s1 |
| InChIKey | ZBDYPRYDIKAOFP-HVXPWAMOSA-N |
| Literature Reference Author | J.J.NAVARRO,M.C.CABALLERO,J.R.MORAN,M.MEDARDE,M.GRANDE,J.ANA YA |
| Literature Reference Citation | J.NAT.PROD.,53,573(1990) |
| Literature Reference DOI | 10.1021/np50069a006 |
| Molecular Weight | 448.470 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU308 |