| Properties | Image |
|---|
| MNX_ID | MNXM176150 |
 |
| reference | slm:000290499 |
| formula | C71H126O6 |
| global charge | 0 |
| mol weight | 1075.783 |
| InChIKey | BPMAVVAEMIGGTQ-NQFCLCOJSA-N |
| InChI | InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-37-38-41-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-40-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,42,44-45,47,68H,4-16,19,22-25,28,31-41,43,46,48-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,45-42-,47-44-/t68-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-37-38-41-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-40-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,42,44-45,47,68H,4-16,19,22-25,28,31-41,43,46,48-67H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,45-42-,47-44-/t68-/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][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][C:70](=[O:73])[O:76][CH2:67][C@@H:68]([CH2:66][O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72])[O:77][C:71]([CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:40]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:74] |
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