| Properties | Image |
|---|
| MNX_ID | MNXM105335 |
 |
| reference | chebi:65955 |
| formula | C22H28O5 |
| global charge | 0 |
| mol weight | 372.461 |
| InChIKey | IWHCUIYQYFOMEF-FBERYXRISA-N |
| InChI | InChI=1S/C22H28O5/c1-11-17-13(26-19(11)24)10-15-21(5)14(6-9-22(15)18(17)27-22)20(3,4)8-7-16(21)25-12(2)23/h7-8,13-16,18H,6,9-10H2,1-5H3/t13-,14-,15+,16-,18-,21-,22+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C=CC(C)(C)[C@H]2CC[C@@]34O[C@@H]3C3=C(C)C(=O)O[C@@H]3C[C@H]4[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C22H28O5/c1-11-17-13(26-19(11)24)10-15-21(5)14(6-9-22(15)18(17)27-22)20(3,4)8-7-16(21)25-12(2)23/h7-8,13-16,18H,6,9-10H2,1-5H3/t13-,14-,15+,16-,18-,21-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]1=[C:17]2[C@@H:13]([CH2:10][C@H:15]3[C@@:21]4([CH3:5])[C@H:14]([CH2:6][CH2:9][C@@:22]35[C@@H:18]2[O:27]5)[C:20]([CH3:3])([CH3:4])[CH:8]=[CH:7][C@H:16]4[O:25][C:12]([CH3:2])=[O:23])[O:26][C:19]1=[O:24] |
|