| SpectraBase Compound ID | 8ChqIYsVcUM |
|---|---|
| InChI | InChI=1S/C30H40O12/c1-16(2)11-24(35)42-29-25-18(12-31)6-9-21(25)19(14-38-29)15-39-30-28(27(37)26(36)22(13-32)40-30)41-23(34)10-5-17-3-7-20(33)8-4-17/h3-5,7-8,10,14,16,18,21-22,25-33,36-37H,6,9,11-13,15H2,1-2H3/b10-5+/t18-,21?,22-,25?,26-,27+,28-,29+,30-/m1/s1 |
| InChIKey | SSHSXBTZJKLHPW-OPRCQSLJSA-N |
| Mol Weight | 592.6 g/mol |
| Molecular Formula | C30H40O12 |
| Exact Mass | 592.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Pv39rVt4up |
|---|---|
| Name | 2'-P-COUMAROYLDIHYDROPENSTEMIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O12 |
| InChI | InChI=1S/C30H40O12/c1-16(2)11-24(35)42-29-25-18(12-31)6-9-21(25)19(14-38-29)15-39-30-28(27(37)26(36)22(13-32)40-30)41-23(34)10-5-17-3-7-20(33)8-4-17/h3-5,7-8,10,14,16,18,21-22,25-33,36-37H,6,9,11-13,15H2,1-2H3/b10-5+/t18-,21?,22-,25?,26-,27+,28-,29+,30-/m1/s1 |
| InChIKey | SSHSXBTZJKLHPW-OPRCQSLJSA-N |
| Literature Reference Author | L.TOMASSINI,M.F.COMETA,S.FODDAI,M.NICOLETTI |
| Literature Reference Citation | PLANTA.MED.,65,195(1999) |
| Literature Reference DOI | 10.1055/s-2006-960469 |
| Molecular Weight | 592.640 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1245 |