| Properties | Image |
|---|
| MNX_ID | MNXM101895 |
 |
| reference | chebi:70333 |
| formula | C28H44O3 |
| global charge | 0 |
| mol weight | 428.657 |
| InChIKey | IWSQIMKLMWQADE-MOKAYLCWSA-N |
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,5)26(25)24(31)15-28(21,22)6/h16,18-22,24,29,31H,3,7-15H2,1-2,4-6H3/t18-,19-,20+,21-,22+,24-,27+,28-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3=O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,5)26(25)24(31)15-28(21,22)6/h16,18-22,24,29,31H,3,7-15H2,1-2,4-6H3/t18-,19-,20+,21-,22+,24-,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C:17](=[CH2:3])[CH2:7][CH2:8][C@@H:18]([CH3:4])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C:25]3=[C:26]([C@H:24]([OH:31])[CH2:15][C@:28]12[CH3:6])[C@@:27]1([CH3:5])[CH2:12][CH2:11][C@H:20]([OH:29])[CH2:13][C@@H:19]1[CH2:14][C:23]3=[O:30] |
|