| Properties | Image | Occurences in reactions |
MNX_ID | MNXM104041 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C31H52O2 |
charge | 0 |
mass | 456.39673 |
reference | chebi:70109 |
InChIKey | XQBDRFMUTUDWCI-ODESCJKJSA-N |
InChI | InChI=1S/C31H52O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,12,17,21-23,25-26,32H,11,13-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,25-,26-,29+,30-,31+/m0/s1 |
SMILES | COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |
|