| SpectraBase Compound ID | 9NnQMtBxGTP |
|---|---|
| InChI | InChI=1S/C25H32O12/c1-24(37-17(28)6-4-13-3-5-14(27)15(11-13)33-2)7-8-25(32)9-10-34-23(21(24)25)36-22-20(31)19(30)18(29)16(12-26)35-22/h3-6,9-11,16,18-23,26-27,29-32H,7-8,12H2,1-2H3/b6-4+/t16-,18-,19+,20-,21+,22+,23-,24+,25-/m0/s1 |
| InChIKey | WWJORRGOKCOBEO-ZAJPDJFFSA-N |
| Mol Weight | 524.5 g/mol |
| Molecular Formula | C25H32O12 |
| Exact Mass | 524.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2suvgG3lwt |
|---|---|
| Name | 6-DESOXY-8-O-ISOFERULOYL-HARPAGIDE |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O12 |
| InChI | InChI=1S/C25H32O12/c1-24(37-17(28)6-4-13-3-5-14(27)15(11-13)33-2)7-8-25(32)9-10-34-23(21(24)25)36-22-20(31)19(30)18(29)16(12-26)35-22/h3-6,9-11,16,18-23,26-27,29-32H,7-8,12H2,1-2H3/b6-4+/t16-,18-,19+,20-,21+,22+,23-,24+,25-/m0/s1 |
| InChIKey | WWJORRGOKCOBEO-ZAJPDJFFSA-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 | 524.522 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16027 |