| Properties | Image |
|---|
| MNX_ID | MNXM103705 |
 |
| reference | chebi:67619 |
| formula | C23H25ClO5 |
| global charge | 0 |
| mol weight | 416.901 |
| InChIKey | GFTHCZMPYKVNIC-GETGECRZSA-N |
| InChI | InChI=1S/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12,17-18H,6H2,1-5H3/b9-8+,13-7+/t12-,17+,18+,23-/m0/s1 |
| SMILES | C/C=C(\C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)CC)OC=C3[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12,17-18H,6H2,1-5H3/b9-8+,13-7+/t12-,17+,18+,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:12]([CH3:3])/[CH:8]=[CH:9]/[C:14]1=[CH:10][C:15]2=[C:19]([Cl:24])[C:21](=[O:26])[C@:23]3([CH3:5])[C@H:18]([C:16]2=[CH:11][O:28]1)[C@H:17]([C:20](/[C:13]([CH3:4])=[CH:7]/[CH3:2])=[O:25])[C:22](=[O:27])[O:29]3 |
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