| Properties | Image |
|---|
| MNX_ID | MNXM192394 |
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| reference | slm:000180439 |
| formula | C58H102O6 |
| global charge | 0 |
| mol weight | 895.448 |
| InChIKey | JQKYKLUDNUPGTN-SURBYRGISA-N |
| InChI | InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-28-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,31,34,55H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-30,32-33,35-54H2,1-3H3/b10-7-,19-16-,23-20+,28-25-,34-31-/t55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H102O6/c1-4-7-10-13-16-19-22-25-28-29-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-30-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23,25,28,31,34,55H,4-6,8-9,11-15,17-18,21-22,24,26-27,29-30,32-33,35-54H2,1-3H3/b10-7-,19-16-,23-20+,28-25-,34-31-/t55-/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]\[CH2:29]/[CH:31]=[CH:34]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61] |
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