| SpectraBase Compound ID | KAxNiK8ETJt |
|---|---|
| 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-VHSMNCKFSA-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 | F1IcNnQHcK3 |
|---|---|
| Name | 2''-TRANS-PARA-COUMAROYL-DIHYDROPENSTEMIDE |
| Compound Number | 3 02 |
| 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-VHSMNCKFSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 592.640 g/mol |
| Sample ID | 38098 |
| Solvent | CD3OD |