| Properties | Image |
MNX_ID | MNXM361544 |
 |
reference | slm:000195957 |
formula | C60H100O6 |
global charge | 0 |
mol weight | 917.454 |
InChIKey | NYPXIJXOEULSMO-SUMLJYJLSA-N |
InChI | InChI=1S/C60H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,39,57H,4-6,9,12-15,18,21-24,27,29,33-35,37-38,40-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-/t57-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,39,57H,4-6,9,12-15,18,21-24,27,29,33-35,37-38,40-56H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-/t57-/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]\[CH2:29]/[CH:30]=[CH:31]\[CH2:33]/[CH:36]=[CH:39]\[CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][C@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:32]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:62] |
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