| Properties | Image |
MNX_ID | MNXM192603 |
 |
reference | slm:000240978 |
formula | C64H112O6 |
global charge | 0 |
mol weight | 977.594 |
InChIKey | YOGANZQDJMMVBN-YFYUEPCXSA-N |
InChI | InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31-32,34,37,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33,35-36,38-60H2,1-3H3/b10-7-,19-16-,24-21+,28-25-,32-31-,37-34-/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)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-36-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,31-32,34,37,61H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-30,33,35-36,38-60H2,1-3H3/b10-7-,19-16-,24-21+,28-25-,32-31-,37-34-/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:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:34]=[CH:37]\[CH2:39][CH2:42][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][CH2:41][CH2:38][CH2:35][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65])[O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:36][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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