| Properties | Image |
MNX_ID | MNXM190419 |
 |
reference | slm:000278007 |
formula | C68H128O6 |
global charge | 0 |
mol weight | 1041.766 |
InChIKey | VYZBBDXYTQHTLY-CBVAOVLXSA-N |
InChI | InChI=1S/C68H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,65H,4-20,22-23,26-27,29-64H2,1-3H3/b24-21+,28-25-/t65-/m1/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C68H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-38-41-44-47-50-53-56-59-62-68(71)74-65(63-72-66(69)60-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-31-29-26-23-20-17-14-11-8-5-2/h21,24-25,28,65H,4-20,22-23,26-27,29-64H2,1-3H3/b24-21+,28-25-/t65-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:68](=[O:71])[O:74][C@H:65]([CH2:63][O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69])[CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70] |
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