| SpectraBase Compound ID | 6QDU7Je9MZV |
|---|---|
| InChI | InChI=1S/C29H36O14/c1-14(31)43-29(2)11-18(40-20(32)10-7-15-5-8-16(37-3)9-6-15)21-17(26(36)38-4)13-39-27(22(21)29)42-28-25(35)24(34)23(33)19(12-30)41-28/h5-10,13,18-19,21-25,27-28,30,33-35H,11-12H2,1-4H3/b10-7+/t18-,19+,21+,22-,23+,24-,25+,27+,28-,29+/m1/s1 |
| InChIKey | FIPTZHRZSSIZKR-YDNLQAGLSA-N |
| Mol Weight | 608.6 g/mol |
| Molecular Formula | C29H36O14 |
| Exact Mass | 608.210506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImBoj72i0rr |
|---|---|
| Name | 6-O-PARA-METHOXY-TRANS-CINNAMOYL-8-O-ACETYL-SHANZHISIDE-METHYLESTER |
| Compound Number | 257 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O14 |
| InChI | InChI=1S/C29H36O14/c1-14(31)43-29(2)11-18(40-20(32)10-7-15-5-8-16(37-3)9-6-15)21-17(26(36)38-4)13-39-27(22(21)29)42-28-25(35)24(34)23(33)19(12-30)41-28/h5-10,13,18-19,21-25,27-28,30,33-35H,11-12H2,1-4H3/b10-7+/t18-,19+,21+,22-,23+,24-,25+,27+,28-,29+/m1/s1 |
| InChIKey | FIPTZHRZSSIZKR-YDNLQAGLSA-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 | 608.596 g/mol |
| Sample ID | 38053 |
| Solvent | CDCl3:DMSO-D6 |