| Properties | Image |
MNX_ID | MNXM111648 |
 |
reference | slm:000197480 |
formula | C60H102O6 |
global charge | 0 |
mol weight | 919.47 |
InChIKey | VJQIYMGHDOTLIE-DOMHFVAHSA-N |
InChI | InChI=1S/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,35,38,57H,4-6,8-9,11-15,18,21-24,29,31,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,38-35-/t57-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,35,38,57H,4-6,8-9,11-15,18,21-24,29,31,33-34,36-37,39-56H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,38-35-/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:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:33]/[CH:35]=[CH:38]\[CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63] |
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