| Properties | Image |
|---|
| MNX_ID | MNXM177049 |
 |
| reference | slm:000305973 |
| formula | C79H148O6 |
| global charge | 0 |
| mol weight | 1194.047 |
| InChIKey | NPCAFEDFMAEPAJ-OJWUPGNLSA-N |
| InChI | InChI=1S/C79H148O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-48-51-54-57-60-63-66-69-72-78(81)84-75-76(74-83-77(80)71-68-65-62-59-56-53-50-47-30-27-24-21-18-15-12-9-6-3)85-79(82)73-70-67-64-61-58-55-52-49-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,50,53,76H,4-17,19-20,22-26,28-29,31-49,51-52,54-75H2,1-3H3/b21-18-,30-27-,53-50-/t76-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H148O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-48-51-54-57-60-63-66-69-72-78(81)84-75-76(74-83-77(80)71-68-65-62-59-56-53-50-47-30-27-24-21-18-15-12-9-6-3)85-79(82)73-70-67-64-61-58-55-52-49-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,50,53,76H,4-17,19-20,22-26,28-29,31-49,51-52,54-75H2,1-3H3/b21-18-,30-27-,53-50-/t76-/m0/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][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][C:78](=[O:81])[O:84][CH2:75][C@H:76]([CH2:74][O:83][C:77]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56]/[CH:53]=[CH:50]\[CH2:47]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:80])[O:85][C:79]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:82] |
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