| Properties | Image |
MNX_ID | MNXM352657 |
 |
reference | slm:000117360 |
formula | C29H54O5 |
global charge | 0 |
mol weight | 482.746 |
InChIKey | AKFUPVIGOKBRBN-YLYQOIPRSA-N |
InChI | InChI=1S/C29H54O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-26-27(30)25-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h9,11,27,30H,3-8,10,12-26H2,1-2H3/b11-9-/t27-/m1/s1 |
SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C29H54O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-26-27(30)25-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h9,11,27,30H,3-8,10,12-26H2,1-2H3/b11-9-/t27-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][C:29](=[O:32])[O:34][CH2:26][C@@H:27]([CH2:25][O:33][C:28]([CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:31])[OH:30] |
|