| Properties | Image |
|---|
| MNX_ID | MNXM38966 |
 |
| reference | chebi:34473 |
| formula | C23H31ClO4 |
| global charge | 0 |
| mol weight | 406.95 |
| InChIKey | DCVGANSDLNPXGO-WXLIAARGSA-N |
| InChI | InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1 |
| SMILES | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([C@@:23]1([O:28][C:14]([CH3:2])=[O:26])[CH2:10][CH2:7][C@H:18]2[C@@H:16]3[CH2:12][C@H:20]([Cl:24])[C:19]4=[CH:11][C:15](=[O:27])[CH2:5][CH2:8][C@:21]4([CH3:3])[C@H:17]3[CH2:6][CH2:9][C@@:22]21[CH3:4])=[O:25] |
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