| Properties | Image |
|---|
| MNX_ID | MNXM108739 |
 |
| reference | chebi:66437 |
| formula | C29H36O5 |
| global charge | 0 |
| mol weight | 464.602 |
| InChIKey | CGJIPMVTBQUUQL-GEDZTWKOSA-N |
| InChI | InChI=1S/C29H36O5/c1-17(2)6-9-21-22(30)13-19(14-23(21)31)8-7-18-12-20-16-25-28(3,4)26(33)10-11-29(25,5)34-27(20)24(32)15-18/h6-8,12-15,25-26,30-33H,9-11,16H2,1-5H3/b8-7+/t25-,26-,29-/m1/s1 |
| SMILES | CC(C)=CCC1=C(O)C=C(/C=C/C2=CC3=C(O[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4C3)C(O)=C2)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H36O5/c1-17(2)6-9-21-22(30)13-19(14-23(21)31)8-7-18-12-20-16-25-28(3,4)26(33)10-11-29(25,5)34-27(20)24(32)15-18/h6-8,12-15,25-26,30-33H,9-11,16H2,1-5H3/b8-7+/t25-,26-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:6][CH2:9][C:21]1=[C:22]([OH:30])[CH:13]=[C:19](/[CH:8]=[CH:7]/[C:18]2=[CH:12][C:20]3=[C:27]([C:24]([OH:32])=[CH:15]2)[O:34][C@:29]2([CH3:5])[CH2:11][CH2:10][C@@H:26]([OH:33])[C:28]([CH3:3])([CH3:4])[C@H:25]2[CH2:16]3)[CH:14]=[C:23]1[OH:31] |
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