| Properties | Image |
MNX_ID | MNXM192353 |
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reference | slm:000296083 |
formula | C72H138O6 |
global charge | 0 |
mol weight | 1099.89 |
InChIKey | GDOMIUTZVXWZGU-NYBFQDHQSA-N |
InChI | InChI=1S/C72H138O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-48-45-41-31-29-26-23-20-17-14-11-8-5-2/h21,24,69H,4-20,22-23,25-68H2,1-3H3/b24-21+/t69-/m1/s1 |
SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C72H138O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-48-45-41-31-29-26-23-20-17-14-11-8-5-2/h21,24,69H,4-20,22-23,25-68H2,1-3H3/b24-21+/t69-/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][CH2:30][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:71](=[O:74])[O:77][CH2:68][C@@H:69]([CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:73])[O:78][C:72]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:41][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:75] |
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