| Properties | Image |
|---|
| MNX_ID | MNXM1195702 |
 |
| reference | envipathM:...b07999d93db8 |
| formula | C21H30O4 |
| global charge | 0 |
| mol weight | 346.467 |
| InChIKey | LQIXQFMYAKKKNA-GNTCWICOSA-N |
| InChI | InChI=1S/C21H30O4/c1-12(22)19-17(23)11-16-14-5-4-13-10-18(24)25-9-8-20(13,2)15(14)6-7-21(16,19)3/h10,14-17,19,23H,4-9,11H2,1-3H3/t14-,15+,16+,17?,19?,20+,21+/m1/s1 |
| SMILES | CC(=O)C1C(O)C[C@H]2[C@@H]3CCC4=CC(=O)OCC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C21H30O4/c1-12(22)19-17(23)11-16-14-5-4-13-10-18(24)25-9-8-20(13,2)15(14)6-7-21(16,19)3/h10,14-17,19,23H,4-9,11H2,1-3H3/t14-,15+,16+,17?,19?,20+,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]([CH:19]1[CH:17]([OH:23])[CH2:11][C@H:16]2[C@@H:14]3[CH2:5][CH2:4][C:13]4=[CH:10][C:18](=[O:24])[O:25][CH2:9][CH2:8][C@:20]4([CH3:2])[C@H:15]3[CH2:6][CH2:7][C@@:21]21[CH3:3])=[O:22] |
|