| Properties | Image |
|---|
| MNX_ID | MNXM1384055 |
 |
| reference | chebi:201914 |
| formula | C28H33NO5 |
| global charge | 0 |
| mol weight | 463.574 |
| InChIKey | XIWMGCLILBQGSO-WPAPTHEOSA-N |
| InChI | InChI=1S/C28H33NO5/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)34-23(30)14-13-17(2)25(16)31/h5-8,10-13,16,18,21-22,24,26,32H,4,9,14-15H2,1-3H3,(H,29,33)/b12-8-,17-13-/t16-,18+,21-,22-,24-,26+,28-/m0/s1 |
| SMILES | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@@]23OC(=O)C/C=C(/C)C(=O)[C@@H](C)C/C=C\[C@H]3[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H33NO5/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)34-23(30)14-13-17(2)25(16)31/h5-8,10-13,16,18,21-22,24,26,32H,4,9,14-15H2,1-3H3,(H,29,33)/b12-8-,17-13-/t16-,18+,21-,22-,24-,26+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]1[CH2:9]/[CH:8]=[CH:12]\[C@H:21]2[C@H:26]([OH:32])[C:19](=[CH2:4])[C@@H:18]([CH3:3])[C@H:24]3[C@H:22]([CH2:15][C:20]4=[CH:10][CH:6]=[CH:5][CH:7]=[CH:11]4)[N:29]=[C:27]([OH:33])[C@:28]23[O:34][C:23](=[O:30])[CH2:14]/[CH:13]=[C:17](/[CH3:2])[C:25]1=[O:31] |
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