| Properties | Image |
|---|
| MNX_ID | MNXM104585 |
 |
| reference | chebi:65794 |
| formula | C22H32O4 |
| global charge | 0 |
| mol weight | 360.494 |
| InChIKey | DFKHRBLZEJCJLU-ZBXWVNBDSA-N |
| InChI | InChI=1S/C22H32O4/c1-14(2)8-6-10-16(4)20-19-12-15(3)9-7-11-18(13-25-17(5)23)21(20)22(24)26-19/h8-9,13,16,19-21H,6-7,10-12H2,1-5H3/b15-9+,18-13-/t16-,19-,20-,21+/m0/s1 |
| SMILES | CC(=O)O/C=C1/CC/C=C(\C)C[C@@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C22H32O4/c1-14(2)8-6-10-16(4)20-19-12-15(3)9-7-11-18(13-25-17(5)23)21(20)22(24)26-19/h8-9,13,16,19-21H,6-7,10-12H2,1-5H3/b15-9+,18-13-/t16-,19-,20-,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:8][CH2:6][CH2:10][C@H:16]([CH3:4])[C@H:20]1[C@@H:19]2[CH2:12]/[C:15]([CH3:3])=[CH:9]/[CH2:7][CH2:11]/[C:18](=[CH:13]/[O:25][C:17]([CH3:5])=[O:23])[C@H:21]1[C:22](=[O:24])[O:26]2 |
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