| Properties | Image |
|---|
| MNX_ID | MNXM107492 |
 |
| reference | chebi:69388 |
| formula | C23H29NO7 |
| global charge | 0 |
| mol weight | 431.485 |
| InChIKey | VWLSPPQJJDUUFR-VIALMDKBSA-N |
| InChI | InChI=1S/C23H29NO7/c1-10-8-14(28-21(10)25)13-9-15-17-16-11(2)19(20-18(27-4)12(3)22(26)29-20)31-23(16,30-15)6-5-7-24(13)17/h10-11,13-17H,5-9H2,1-4H3/b20-19-/t10-,11-,13-,14-,15+,16+,17-,23+/m0/s1 |
| SMILES | COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CC(O2)[C@H]4[C@H]3[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C23H29NO7/c1-10-8-14(28-21(10)25)13-9-15-17-16-11(2)19(20-18(27-4)12(3)22(26)29-20)31-23(16,30-15)6-5-7-24(13)17/h10-11,13-17H,5-9H2,1-4H3/b20-19-/t10-,11-,13-,14-,15+,16+,17-,23?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[CH2:8][C@@H:14]([C@@H:13]2[CH2:9][C@@H:15]3[C@H:17]4[C@H:16]5[C@H:11]([CH3:2])/[C:19](=[C:20]6\[C:18]([O:27][CH3:4])=[C:12]([CH3:3])[C:22](=[O:26])[O:29]6)[O:31][C@@:23]5([CH2:6][CH2:5][CH2:7][N:24]24)[O:30]3)[O:28][C:21]1=[O:25] |
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