| Properties | Image |
MNX_ID | MNXM178931 |
 |
reference | slm:000292946 |
formula | C71H136O6 |
global charge | 0 |
mol weight | 1085.863 |
InChIKey | JETYJAWMDHBHAL-HDSYYZPTSA-N |
InChI | InChI=1S/C71H136O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-46-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-45-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-47-44-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h50,53,68H,4-49,51-52,54-67H2,1-3H3/b53-50- |
SMILES | CCCCCCCCC/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C71H136O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-46-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-45-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-47-44-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h50,53,68H,4-49,51-52,54-67H2,1-3H3/b53-50- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:69](=[O:72])[O:75][CH2:66][CH:68]([CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:47][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:73])[O:77][C:71]([CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:45][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:74] |
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