| Properties | Image |
|---|
| MNX_ID | MNXM106072 |
 |
| reference | chebi:67682 |
| formula | C22H32O7 |
| global charge | 0 |
| mol weight | 408.491 |
| InChIKey | BSANMXUGYAXKKD-XCVBNCFESA-N |
| InChI | InChI=1S/C22H32O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13+,14+,15-,16-,17-,18+,20-,21+,22-/m1/s1 |
| SMILES | C=C1[C@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@@H]1O)[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C22H32O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13+,14+,15-,16-,17-,18+,20-,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:10]1[C@H:12]2[CH2:5][CH2:6][C@H:13]3[C@@:20]45[CH2:9][O:28][C@:22]([OH:27])([C@@H:18]([OH:26])[C@@H:15]4[C:19]([CH3:3])([CH3:4])[CH2:8][CH2:7][C@@H:14]5[O:29][C:11]([CH3:2])=[O:23])[C@@:21]3([C@@H:16]1[OH:24])[C@@H:17]2[OH:25] |
|