| SpectraBase Spectrum ID |
70aJwA1b6tp |
| Name |
4-{2-[rel-(1R,3R,5S)-7-Oxo-2,6-dioxabicyclo[3.3.1]non-3-yl]ethyl}phenyl 3,4,5-Trihydroxybenzoate |
| Alternate Name(s) |
4-(2-((1R,3R,5S)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl)ethyl)phenyl 3,4,5-trihydroxybenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c23-18-7-13(8-19(24)21(18)26)22(27)30-14-4-1-12(2-5-14)3-6-15-9-16-10-17(28-15)11-20(25)29-16/h1-2,4-5,7-8,15-17,23-24,26H,3,6,9-11H2/t15-,16+,17-/m1/s1 |
| InChIKey |
ONBKSDBCHJGLOX-IXDOHACOSA-N |
| Literature Reference DOI |
10.1002/hlca.201400367 |
| Molecular Weight |
414.410 g/mol |
| SMILES |
Oc1cc(cc(c1O)O)C(Oc1ccc(CC[C@@]2(C[C@@]3(OC(C[C@](O2)(C3)[H])=O)[H])[H])cc1)=O |
| SPLASH |
splash10-052b-5932000000-6dd82a22a57964b3e14f |
| Source of Spectrum |
H-98-951-2 |
| Wiley ID |
1786351 |
![4-{2-[rel-(1R,3R,5S)-7-Oxo-2,6-dioxabicyclo[3.3.1]non-3-yl]ethyl}phenyl 3,4,5-Trihydroxybenzoate](/api/spectrum/70aJwA1b6tp/structure.png?h=300&w=458 "4-{2-[rel-(1R,3R,5S)-7-Oxo-2,6-dioxabicyclo[3.3.1]non-3-yl]ethyl}phenyl 3,4,5-Trihydroxybenzoate")
