| Properties | Image |
|---|
| MNX_ID | MNXM218473 |
 |
| reference | slm:000277373 |
| formula | C69H116O6 |
| global charge | 0 |
| mol weight | 1041.681 |
| InChIKey | YATAUDFFTJGIGG-PCLDYYEQSA-N |
| InChI | InChI=1S/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,39,41,47,50,66H,4-6,8-9,11-15,18,21-24,31-32,35-38,40,42-46,48-49,51-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,34-33-,41-39-,50-47-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33-34,39,41,47,50,66H,4-6,8-9,11-15,18,21-24,31-32,35-38,40,42-46,48-49,51-65H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,34-33-,41-39-,50-47-/t66-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:36]/[CH:39]=[CH:41]\[CH2:44]/[CH:47]=[CH:50]\[CH2:53][CH2:56][CH2:59][CH2:62][C:68](=[O:71])[O:74][CH2:65][C@@H:66]([CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:37]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72] |
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