| Properties | Image |
|---|
| MNX_ID | MNXM285689 |
 |
| reference | slm:000181619 |
| formula | C59H92O6 |
| global charge | 0 |
| mol weight | 897.379 |
| InChIKey | YBECRGCDYSUZBP-DMNUODTNSA-N |
| InChI | InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-39,41,43,46,56H,4-6,9,12-15,18,21-24,28,32-33,35,40,42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,41-38-,46-43-/t56-/m1/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)CCCC/C=C\CCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C59H92O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,34,36-39,41,43,46,56H,4-6,9,12-15,18,21-24,28,32-33,35,40,42,44-45,47-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,30-29-,31-26-,37-34-,39-36-,41-38-,46-43-/t56-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32]/[CH:34]=[CH:37]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:31]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:62] |
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