| Properties | Image |
|---|
| MNX_ID | MNXM103459 |
 |
| reference | chebi:65568 |
| formula | C28H36O6 |
| global charge | 0 |
| mol weight | 468.59 |
| InChIKey | LFDIXHMYXFFMFD-QQYZDZQSSA-N |
| InChI | InChI=1S/C28H36O6/c1-17(29)27(32)13-14-28(33)21-10-9-19-15-20(30)11-12-25(19,2)22(21)16-23(26(27,28)3)34-24(31)18-7-5-4-6-8-18/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21+,22-,23+,25-,26+,27+,28-/m0/s1 |
| SMILES | CC(=O)[C@]1(O)CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)C3=CC=CC=C3)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H36O6/c1-17(29)27(32)13-14-28(33)21-10-9-19-15-20(30)11-12-25(19,2)22(21)16-23(26(27,28)3)34-24(31)18-7-5-4-6-8-18/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21+,22-,23+,25-,26+,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([C@:27]1([OH:32])[CH2:13][CH2:14][C@:28]2([OH:33])[C@@H:21]3[CH2:10][CH:9]=[C:19]4[CH2:15][C@@H:20]([OH:30])[CH2:11][CH2:12][C@:25]4([CH3:2])[C@H:22]3[CH2:16][C@@H:23]([O:34][C:24]([C:18]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)=[O:31])[C@:26]12[CH3:3])=[O:29] |
|