| SpectraBase Compound ID | 5tradmpmBUU |
|---|---|
| InChI | InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)8-33-21(15(12)23)35-22-18(27)17(26)16(25)14(34-22)9-32-20(30)10-2-4-11(24)5-3-10/h2-5,8,12,14-18,21-22,24-27,31H,6-7,9H2,1H3,(H,28,29)/t12-,14+,15-,16+,17-,18+,21+,22-,23+/m1/s1 |
| InChIKey | IUXOFSAPFXGQID-VQIZJOCYSA-N |
| Mol Weight | 496.47 g/mol |
| Molecular Formula | C23H28O12 |
| Exact Mass | 496.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPGyRaq6dZO |
|---|---|
| Name | 6'-O-PARA-HYDROXYBENZOYL-MUSSAENOSIDIC_ACID |
| Compound Number | 186 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O12 |
| InChI | InChI=1S/C23H28O12/c1-23(31)7-6-12-13(19(28)29)8-33-21(15(12)23)35-22-18(27)17(26)16(25)14(34-22)9-32-20(30)10-2-4-11(24)5-3-10/h2-5,8,12,14-18,21-22,24-27,31H,6-7,9H2,1H3,(H,28,29)/t12-,14+,15-,16+,17-,18+,21+,22-,23+/m1/s1 |
| InChIKey | IUXOFSAPFXGQID-VQIZJOCYSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 496.468 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ16169 |