| Properties | Image |
|---|
| MNX_ID | MNXM104836 |
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| reference | chebi:69315 |
| formula | C26H31NO3 |
| global charge | 0 |
| mol weight | 405.538 |
| InChIKey | VJYDYOYYSFAXSI-DLGBIPEUSA-N |
| InChI | InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1 |
| SMILES | CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CC4=CC=C5OCOC5=C4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43 |
MNX internals
| InChI (mnx) | InChI=1/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:12][N:27]=[C:26]([C@@H:19]1[CH:5]=[CH:4][C@@H:16]2[CH2:11][C@H:21]3[C@H:20]([CH2:9][C:15]4=[CH:10][C:23]5=[C:22]([CH:8]=[CH:3]4)[O:29][CH2:13][O:30]5)[C@H:18]4[CH:7]=[CH:6][C@@H:17]1[C@@H:24]2[C@H:25]43)[OH:28] |
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