| Properties | Image |
|---|
| MNX_ID | MNXM163413 |
 |
| reference | chebi:87837 |
| formula | C28H33NO3 |
| global charge | 0 |
| mol weight | 431.576 |
| InChIKey | MZRDRLOYHFZNCS-IZVHRENNSA-N |
| InChI | InChI=1S/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20+,22-,23-,25-,28+/m0/s1 |
| SMILES | CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@@H](C)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H]3[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20+,22-,23-,25-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[CH2:9]/[CH:8]=[CH:12]/[C@H:22]2[CH:15]=[C:19]([CH3:3])[C@@H:20]([CH3:4])[C@H:25]3[C@H:23]([CH2:16][C:21]4=[CH:10][CH:6]=[CH:5][CH:7]=[CH:11]4)[N:29]=[C:27]([OH:32])[C@@:28]23[C:24](=[O:30])/[CH:14]=[CH:13]/[C@H:18]([CH3:2])[C:26]1=[O:31] |
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