| Properties | Image |
MNX_ID | MNXM193138 |
 |
reference | slm:000120520 |
formula | C39H68O5 |
global charge | 0 |
mol weight | 616.968 |
InChIKey | YALFLVYLRTWTNH-QHEVJBIMSA-N |
InChI | InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40H,3-10,12,15,18,20-22,24,26-36H2,1-2H3/b13-11-,16-14+,19-17-,25-23-/t37-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
InChI (mnx) | InChI=1/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,23,25,37,40H,3-10,12,15,18,20-22,24,26-36H2,1-2H3/b13-11-,16-14+,19-17-,25-23-/t37-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:41])[O:43][CH2:35][C@@H:37]([CH2:36][O:44][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[OH:40] |
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