| Properties | Image |
|---|
| MNX_ID | MNXM101357 |
 |
| reference | chebi:68041 |
| formula | C27H42O4 |
| global charge | 0 |
| mol weight | 430.629 |
| InChIKey | IDZDIJBVDDHIIM-MWZFGUNWSA-N |
| InChI | InChI=1S/C27H42O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h8,18-23,29H,7,9-15H2,1-6H3/t18-,19-,20+,21+,22+,23+,25-,26-,27+/m0/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H42O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h8,18-23,29H,7,9-15H2,1-6H3/t18-,19-,20+,21+,22+,23+,25-,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16](=[O:28])[O:31][C@@H:21]1[CH2:14][C@@H:20]2[C@@:25]3([CH3:4])[CH2:12][CH2:7][CH2:11][C:24]([CH3:2])([CH3:3])[C@@H:18]3[CH2:10][CH2:13][C@@:26]2([CH3:5])[C@@H:19]2[CH2:9][CH:8]=[C:17]3[CH2:15][O:30][C@@H:23]([OH:29])[C@@H:22]3[C@:27]21[CH3:6] |
|