| Properties | Image |
MNX_ID | MNXM349100 |
 |
reference | slm:000242392 |
formula | C64H114O6 |
global charge | 0 |
mol weight | 979.61 |
InChIKey | XGFKUKTYVFUHPO-POWBQZOJSA-N |
InChI | InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31-32,36,38,61H,4-6,8-9,11-15,17-18,20-24,26,28-30,33-35,37,39-60H2,1-3H3/b10-7-,19-16-,27-25-,32-31-,38-36-/t61-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C64H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-41-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-39-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31-32,36,38,61H,4-6,8-9,11-15,17-18,20-24,26,28-30,33-35,37,39-60H2,1-3H3/b10-7-,19-16-,27-25-,32-31-,38-36-/t61-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:32]\[CH2:34]/[CH:36]=[CH:38]\[CH2:40][CH2:43][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:63](=[O:66])[O:69][CH2:60][C@@H:61]([CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:42][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65])[O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:41][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67] |
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