| Properties | Image |
|---|
| MNX_ID | MNXM106661 |
 |
| reference | chebi:66378 |
| formula | C24H32O7 |
| global charge | 0 |
| mol weight | 432.513 |
| InChIKey | NYMQSPKXPCCZKY-MXWKRVGCSA-N |
| InChI | InChI=1S/C24H32O7/c1-13-8-7-9-14(2)12-18(28-16(4)25)20-15(3)23(27)30-21(20)22-24(6,31-22)19(11-10-13)29-17(5)26/h9-10,18-22H,3,7-8,11-12H2,1-2,4-6H3/b13-10+,14-9+/t18-,19-,20-,21+,22+,24+/m1/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(C)=O)C/C(C)=C/CC/C(C)=C/C[C@@H](OC(C)=O)[C@]1(C)O[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C24H32O7/c1-13-8-7-9-14(2)12-18(28-16(4)25)20-15(3)23(27)30-21(20)22-24(6,31-22)19(11-10-13)29-17(5)26/h9-10,18-22H,3,7-8,11-12H2,1-2,4-6H3/b13-10+,14-9+/t18-,19-,20-,21+,22+,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:13]1=[CH:10]\[CH2:11][C@@H:19]([O:29][C:17]([CH3:5])=[O:26])[C@@:24]2([CH3:6])[C@H:22]([C@@H:21]3[C@H:20]([C:15](=[CH2:3])[C:23](=[O:27])[O:30]3)[C@H:18]([O:28][C:16]([CH3:4])=[O:25])[CH2:12]/[C:14]([CH3:2])=[CH:9]/[CH2:7][CH2:8]1)[O:31]2 |
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