| Properties | Image |
MNX_ID | MNXM364272 |
 |
reference | slm:000304840 |
formula | C77H148O6 |
global charge | 0 |
mol weight | 1170.025 |
InChIKey | DUXURZPRNBPHGI-VJKYJSEJSA-N |
InChI | InChI=1S/C77H148O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-43-46-49-52-55-58-61-64-67-70-76(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)71-68-65-62-59-56-53-50-47-44-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,74H,4-25,27-28,30-73H2,1-3H3/b29-26-/t74-/m0/s1 |
SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C77H148O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-43-46-49-52-55-58-61-64-67-70-76(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)71-68-65-62-59-56-53-50-47-44-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h26,29,74H,4-25,27-28,30-73H2,1-3H3/b29-26-/t74-/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][CH2:36][CH2:38][CH2:40][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][CH2:30][CH2:27][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][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:80] |
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