| SpectraBase Compound ID | 1nFReD4PmkX |
|---|---|
| InChI | InChI=1S/C27H32O13/c1-35-17-7-3-13(9-18(17)36-2)4-8-20(29)37-11-14-5-6-15-16(25(33)34)12-38-26(21(14)15)40-27-24(32)23(31)22(30)19(10-28)39-27/h3-5,7-9,12,15,19,21-24,26-28,30-32H,6,10-11H2,1-2H3,(H,33,34)/b8-4+/t15-,19+,21-,22+,23-,24+,26+,27-/m1/s1 |
| InChIKey | DCVLQGZRIUJCDA-UWAQQVSCSA-N |
| Mol Weight | 564.5 g/mol |
| Molecular Formula | C27H32O13 |
| Exact Mass | 564.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Sbd22R41tk |
|---|---|
| Name | 10-O-(TRANS-3,4-DIMETHOXYCINNAMOYL)-GENIPOSIDIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O13 |
| InChI | InChI=1S/C27H32O13/c1-35-17-7-3-13(9-18(17)36-2)4-8-20(29)37-11-14-5-6-15-16(25(33)34)12-38-26(21(14)15)40-27-24(32)23(31)22(30)19(10-28)39-27/h3-5,7-9,12,15,19,21-24,26-28,30-32H,6,10-11H2,1-2H3,(H,33,34)/b8-4+/t15-,19+,21-,22+,23-,24+,26+,27-/m1/s1 |
| InChIKey | DCVLQGZRIUJCDA-UWAQQVSCSA-N |
| Literature Reference Author | T.TAKEDA,Y.NARUKAWA,N.HADA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,284(1999) |
| Literature Reference DOI | 10.1248/cpb.47.284 |
| Molecular Weight | 564.543 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU7853 |