| Properties | Image |
|---|
| MNX_ID | MNXM102008 |
 |
| reference | chebi:67615 |
| formula | C23H25ClO6 |
| global charge | 0 |
| mol weight | 432.9 |
| InChIKey | HWSQVPGTQUYLEQ-XURDPWNDSA-N |
| InChI | InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12-,13-,23-/m0/s1 |
| SMILES | CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@@H](C)[C@H](C)O)=C3C2=CO1 |
MNX internals
| InChI (mnx) | InChI=1/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12-,13-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:11]([CH3:2])/[CH:7]=[CH:8]/[C:14]1=[CH:9][C:15]2=[C:19]([Cl:24])[C:21](=[O:27])[C@:23]3([CH3:5])[C:18](=[C:17]([C:20]([C@@H:12]([CH3:3])[C@H:13]([CH3:4])[OH:25])=[O:26])[C:22](=[O:28])[O:30]3)[C:16]2=[CH:10][O:29]1 |
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