| Properties | Image | Occurences in reactions |
MNX_ID | MNXM730640 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
4 |
|
formula | C27H44O2 |
charge | 0 |
mass | 400.33413 |
reference | biggM:CE1298 |
InChIKey | JUGXQEJPWDYOJV-ALJHFPOSSA-N |
InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19?,21-,22?,23+,24?,25?,26-,27+/m0/s1 |
SMILES | CC(C=O)CCCC(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C |
|