| Properties | Image | Occurences in reactions |
MNX_ID | MNXM164676 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
2 |
|
formula | C43H74O2 |
charge | 0 |
mass | 622.56888 |
reference | biggM:HC02021 |
InChIKey | HODJWNWCVNUPAQ-BYJSCLGISA-N |
InChI | InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37+,38-,39+,40+,42+,43-/m1/s1 |
SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 |
|