| SpectraBase Compound ID | 9RMvAYelkke |
|---|---|
| InChI | InChI=1S/C27H30O14/c1-14(28)36-20-9-7-19(11-21(20)37-15(2)29)8-10-24(33)40-25-22(38-16(3)30)12-27(26(34)35-6,41-18(5)32)13-23(25)39-17(4)31/h7-11,22-23,25H,12-13H2,1-6H3/b10-8+/t22-,23-,25-,27+/m1/s1 |
| InChIKey | SMSWMLBLUKOHHF-KGHLLXIUSA-N |
| Mol Weight | 578.52 g/mol |
| Molecular Formula | C27H30O14 |
| Exact Mass | 578.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkpiNBxFdKV |
|---|---|
| Name | CRYPTOCHLOROGENIC-ACID-METHYLESTER-PERACETATE |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O14 |
| InChI | InChI=1S/C27H30O14/c1-14(28)36-20-9-7-19(11-21(20)37-15(2)29)8-10-24(33)40-25-22(38-16(3)30)12-27(26(34)35-6,41-18(5)32)13-23(25)39-17(4)31/h7-11,22-23,25H,12-13H2,1-6H3/b10-8+/t22-,23-,25-,27+/m1/s1 |
| InChIKey | SMSWMLBLUKOHHF-KGHLLXIUSA-N |
| Literature Reference Author | K.MAKIDA,M.KIKUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,3654(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83751-J |
| Molecular Weight | 578.527 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27871 |