| Properties | Image |
MNX_ID | MNXM193164 |
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reference | slm:000118886 |
formula | C36H68O5 |
global charge | 0 |
mol weight | 580.935 |
InChIKey | WXJFYUOHPCMUHM-DWDIVVRWSA-N |
InChI | InChI=1S/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13+/t34-/m0/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C36H68O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-33-34(37)32-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,34,37H,3-12,14,16-33H2,1-2H3/b15-13+/t34-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:39])[O:41][CH2:33][C@H:34]([CH2:32][O:40][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:38])[OH:37] |
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