| Properties | Image |
|---|
| MNX_ID | MNXM104527 |
 |
| reference | chebi:69381 |
| formula | C22H27NO5 |
| global charge | 0 |
| mol weight | 385.46 |
| InChIKey | XNUWGEPKIOWLHQ-WZFFLJNLSA-N |
| InChI | InChI=1S/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16+,21-,22+/m0/s1 |
| SMILES | CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 |
MNX internals
| InChI (mnx) | InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16+,21-,22+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:6]=[CH:8]/[C@@:21]12[C@@H:14]3[CH2:7][CH2:9][N:23]1[C@H:13]1[CH2:10][C@@H:15]2[O:27][C@:22]32[C@@H:16]1[C@H:11]([CH3:2])/[C:18](=[C:19]1\[C:17]([O:25][CH3:4])=[C:12]([CH3:3])[C:20](=[O:24])[O:26]1)[O:28]2 |
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