| Properties | Image |
|---|
| MNX_ID | MNXM321232 |
 |
| reference | slm:000180327 |
| formula | C58H102O6 |
| global charge | 0 |
| mol weight | 895.448 |
| InChIKey | UVASJHDVFXNFCH-LGGRDWKUSA-N |
| InChI | InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26-27,29-30,55H,4-7,9-10,12-16,18-19,22-23,25,28,31-54H2,1-3H3/b11-8-,20-17-,24-21+,29-26-,30-27-/t55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26-27,29-30,55H,4-7,9-10,12-16,18-19,22-23,25,28,31-54H2,1-3H3/b11-8-,20-17-,24-21+,29-26-,30-27-/t55-/m1/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][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][C@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:59])[CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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