| Properties | Image |
|---|
| MNX_ID | MNXM222816 |
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| reference | slm:000303947 |
| formula | C77H136O6 |
| global charge | 0 |
| mol weight | 1157.929 |
| InChIKey | XTBNAPMYKVMZED-RVTAVUEDSA-N |
| InChI | InChI=1S/C77H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-41-43-46-49-52-55-58-61-64-67-70-76(79)82-73-74(72-81-75(78)69-66-63-60-57-54-51-48-45-42-33-30-27-24-21-18-15-12-9-6-3)83-77(80)71-68-65-62-59-56-53-50-47-44-40-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,40,47,50,56,59,74H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-39,41-46,48-49,51-55,57-58,60-73H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,40-35-,50-47-,59-56-/t74-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H136O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-41-43-46-49-52-55-58-61-64-67-70-76(79)82-73-74(72-81-75(78)69-66-63-60-57-54-51-48-45-42-33-30-27-24-21-18-15-12-9-6-3)83-77(80)71-68-65-62-59-56-53-50-47-44-40-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,35,40,47,50,56,59,74H,4-7,9-10,12-16,18-19,21-25,28,31-34,36-39,41-46,48-49,51-55,57-58,60-73H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,40-35-,50-47-,59-56-/t74-/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][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][C:76](=[O:79])[O:82][CH2:73][C@@H:74]([CH2:72][O:81][C:75]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:33]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:78])[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:40]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:80] |
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