| Properties | Image |
|---|
| MNX_ID | MNXM42108 |
 |
| reference | chebi:2723 |
| formula | C17H20O5 |
| global charge | 0 |
| mol weight | 304.342 |
| InChIKey | DCNRYQODUSSOKC-HKHYKUHTSA-N |
| InChI | InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1 |
| SMILES | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[CH2:7][C@@H:12]2[C@@H:14]([C:9](=[CH2:2])[C:16](=[O:20])[O:22]2)[C@H:15]([O:21][C:10]([CH3:3])=[O:18])[C@@:17]2([CH3:4])[C@H:11]1[CH:5]=[CH:6][C:13]2=[O:19] |
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