| Properties | Image |
MNX_ID | MNXM319677 |
 |
reference | slm:000196190 |
formula | C60H100O6 |
global charge | 0 |
mol weight | 917.454 |
InChIKey | IGVOIHQJAZIGGP-PTMWZFKFSA-N |
InChI | InChI=1S/C60H100O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-37-41-45-49-53-60(63)66-57(55-65-59(62)52-48-44-40-36-33-29-30-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-25,28,32,41,45,56-57H,5-7,9,11-12,17-18,22,26-27,29-31,33-40,42-44,46-55H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,24-23-,25-20-,32-28-,45-41-/t57-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H100O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-32-37-41-45-49-53-60(63)66-57(55-65-59(62)52-48-44-40-36-33-29-30-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-27-25-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-21,23-25,28,32,41,45,56-57H,5-7,9,11-12,17-18,22,26-27,29-31,33-40,42-44,46-55H2,1-4H3/b10-8-,15-13-,16-14-,21-19-,24-23-,25-20-,32-28-,45-41-/t57-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:32]\[CH2:37]/[CH:41]=[CH:45]\[CH2:49][CH2:53][C:60](=[O:63])[O:66][C@H:57]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27]/[CH:25]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:61])[CH2:55][O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:62] |
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