| Properties | Image |
MNX_ID | MNXM178533 |
 |
reference | slm:000128973 |
formula | C48H84O6 |
global charge | 0 |
mol weight | 757.194 |
InChIKey | NVFPETUSFKUJRT-DFIVFKFMSA-N |
InChI | InChI=1S/C48H84O6/c1-5-7-9-11-13-15-17-19-21-23-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-25-26-30-34-38-44(3)4)43-53-47(50)40-36-32-28-24-22-20-18-16-14-12-10-8-6-2/h9-12,15-18,44-45H,5-8,13-14,19-43H2,1-4H3/b11-9-,12-10-,17-15-,18-16- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
InChI (mnx) | InChI=1/C48H84O6/c1-5-7-9-11-13-15-17-19-21-23-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-25-26-30-34-38-44(3)4)43-53-47(50)40-36-32-28-24-22-20-18-16-14-12-10-8-6-2/h9-12,15-18,44-45H,5-8,13-14,19-43H2,1-4H3/b11-9-,12-10-,17-15-,18-16- |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19][CH2:21][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][C:46](=[O:49])[O:52][CH2:42][CH:45]([CH2:43][O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:22][CH2:20]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:50])[O:54][C:48]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH:44]([CH3:3])[CH3:4])=[O:51] |
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