| Properties | Image |
|---|
| MNX_ID | MNXM106453 |
 |
| reference | chebi:70364 |
| formula | C22H32O7 |
| global charge | 0 |
| mol weight | 408.491 |
| InChIKey | JCFNABVWPGSVJZ-WLYZDMOJSA-N |
| InChI | InChI=1S/C22H32O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-18,24-27H,1,4-10H2,2-3H3/t13-,14+,15-,16-,17-,18-,19+,20-,21+,22+/m1/s1 |
| SMILES | C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@H](O)[C@@H]4[C@](C)(COC(C)=O)CC[C@H]5O)[C@]3(C2)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H32O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-18,24-27H,1,4-10H2,2-3H3/t13-,14+,15-,16-,17-,18-,19+,20-,21+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:11]1[C@@H:13]2[CH2:4][CH2:5][C@H:14]3[C@@:20]45[CH2:10][O:29][C@@:22]([OH:27])([C@H:18]([OH:26])[C@@H:16]4[C@:19]([CH3:3])([CH2:9][O:28][C:12]([CH3:2])=[O:23])[CH2:7][CH2:6][C@H:15]5[OH:24])[C@:21]3([CH2:8]2)[C@@H:17]1[OH:25] |
|