| Properties | Image |
|---|
| MNX_ID | MNXM236491 |
 |
| reference | slm:000305734 |
| formula | C79H142O6 |
| global charge | 0 |
| mol weight | 1187.999 |
| InChIKey | YUBKIOUIFGYLOJ-WQPLZHKESA-N |
| InChI | InChI=1S/C79H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-38-39-40-43-46-49-52-55-58-61-64-67-70-73-79(82)85-76(74-83-77(80)71-68-65-62-59-56-53-50-47-44-41-35-32-29-26-23-20-17-14-11-8-5-2)75-84-78(81)72-69-66-63-60-57-54-51-48-45-42-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,35,41,47,50,56,59,76H,4-16,18-19,21-25,28,31-34,36-40,42-46,48-49,51-55,57-58,60-75H2,1-3H3/b20-17-,29-26-,30-27-,41-35-,50-47-,59-56-/t76-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H142O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-38-39-40-43-46-49-52-55-58-61-64-67-70-73-79(82)85-76(74-83-77(80)71-68-65-62-59-56-53-50-47-44-41-35-32-29-26-23-20-17-14-11-8-5-2)75-84-78(81)72-69-66-63-60-57-54-51-48-45-42-36-33-30-27-24-21-18-15-12-9-6-3/h17,20,26-27,29-30,35,41,47,50,56,59,76H,4-16,18-19,21-25,28,31-34,36-40,42-46,48-49,51-55,57-58,60-75H2,1-3H3/b20-17-,29-26-,30-27-,41-35-,50-47-,59-56-/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][CH2:34][CH2:37][CH2:38][CH2:39][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][CH2:73][C:79](=[O:82])[O:85][C@@H:76]([CH2:74][O:83][C:77]([CH2:71][CH2:68][CH2:65][CH2:62]/[CH:59]=[CH:56]\[CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:80])[CH2:75][O:84][C:78]([CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:81] |
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