| Properties | Image |
|---|
| MNX_ID | MNXM103719 |
 |
| reference | chebi:69411 |
| formula | C28H40O4 |
| global charge | 0 |
| mol weight | 440.624 |
| InChIKey | DDLYOXCLOXCDSG-GLJFNCHPSA-N |
| InChI | InChI=1S/C28H40O4/c1-5-6-17-26-18-9-7-8-16-25(29)21-27(30)24(4)15-11-14-22(2)12-10-13-23(3)19-20-28(31)32-26/h6-13,15-17,19-20,22,24-27,29-30H,5,14,18,21H2,1-4H3/b9-7+,12-10+,15-11+,16-8-,17-6+,20-19+,23-13+/t22-,24-,25-,26-,27+/m0/s1 |
| SMILES | CC/C=C/[C@H]1C/C=C/C=C\[C@H](O)C[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H40O4/c1-5-6-17-26-18-9-7-8-16-25(29)21-27(30)24(4)15-11-14-22(2)12-10-13-23(3)19-20-28(31)32-26/h6-13,15-17,19-20,22,24-27,29-30H,5,14,18,21H2,1-4H3/b9-7+,12-10+,15-11+,16-8-,17-6+,20-19+,23-13+/t22-,24-,25-,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:6]=[CH:17]/[C@H:26]1[CH2:18]/[CH:9]=[CH:7]/[CH:8]=[CH:16]\[C@H:25]([OH:29])[CH2:21][C@@H:27]([OH:30])[C@@H:24]([CH3:4])/[CH:15]=[CH:11]/[CH2:14][C@@H:22]([CH3:2])/[CH:12]=[CH:10]/[CH:13]=[C:23]([CH3:3])/[CH:19]=[CH:20]/[C:28](=[O:31])[O:32]1 |
|