| Properties | Image |
|---|
| MNX_ID | MNXM101289 |
 |
| reference | chebi:70405 |
| formula | C23H31NO7 |
| global charge | 0 |
| mol weight | 433.501 |
| InChIKey | PVVXZVZMHFPXJR-CJBCMZFDSA-N |
| InChI | InChI=1S/C23H31NO7/c1-10-8-16(30-22(10)26)13-9-14(25)18-17-11(2)20(29-15(17)6-5-7-24(13)18)21-19(28-4)12(3)23(27)31-21/h10-11,13-18,25H,5-9H2,1-4H3/b21-20-/t10-,11-,13-,14+,15+,16-,17-,18-/m0/s1 |
| SMILES | COC1=C(C)C(=O)O/C1=C1\O[C@@H]2CCCN3[C@H]([C@H]2[C@@H]1C)[C@H](O)C[C@H]3[C@@H]1C[C@H](C)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C23H31NO7/c1-10-8-16(30-22(10)26)13-9-14(25)18-17-11(2)20(29-15(17)6-5-7-24(13)18)21-19(28-4)12(3)23(27)31-21/h10-11,13-18,25H,5-9H2,1-4H3/b21-20-/t10-,11-,13-,14+,15+,16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[CH2:8][C@@H:16]([C@@H:13]2[CH2:9][C@@H:14]([OH:25])[C@H:18]3[C@H:17]4[C@H:11]([CH3:2])/[C:20](=[C:21]5\[C:19]([O:28][CH3:4])=[C:12]([CH3:3])[C:23](=[O:27])[O:31]5)[O:29][C@@H:15]4[CH2:6][CH2:5][CH2:7][N:24]23)[O:30][C:22]1=[O:26] |
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