| Properties | Image |
MNX_ID | MNXM363284 |
 |
reference | slm:000295198 |
formula | C73H124O6 |
global charge | 0 |
mol weight | 1097.789 |
InChIKey | PMYDCQQDLODBBZ-REAUTHSBSA-N |
InChI | InChI=1S/C73H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-40-42-45-48-51-54-57-60-63-66-72(75)78-69-70(79-73(76)67-64-61-58-55-52-49-46-43-39-33-30-27-24-21-18-15-12-9-6-3)68-77-71(74)65-62-59-56-53-50-47-44-41-38-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38-39,41,43,47,50,56,59,70H,4-7,9-10,12-16,19,22-25,28,31-37,40,42,44-46,48-49,51-55,57-58,60-69H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-39-,50-47-,59-56-/t70-/m0/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C73H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-40-42-45-48-51-54-57-60-63-66-72(75)78-69-70(79-73(76)67-64-61-58-55-52-49-46-43-39-33-30-27-24-21-18-15-12-9-6-3)68-77-71(74)65-62-59-56-53-50-47-44-41-38-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,38-39,41,43,47,50,56,59,70H,4-7,9-10,12-16,19,22-25,28,31-37,40,42,44-46,48-49,51-55,57-58,60-69H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,41-38-,43-39-,50-47-,59-56-/t70-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:35][CH2:36][CH2:37][CH2:40][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][C:72](=[O:75])[O:78][CH2:69][C@H:70]([CH2:68][O:77][C:71]([CH2:65][CH2:62]/[CH:59]=[CH:56]\[CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:38]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:74])[O:79][C:73]([CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:39]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:76] |
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