| Properties | Image |
MNX_ID | MNXM317965 |
 |
reference | slm:000220512 |
formula | C62H108O6 |
global charge | 0 |
mol weight | 949.54 |
InChIKey | XNGLLXFGJJWTAV-LWACJBCUSA-N |
InChI | InChI=1S/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h12,15-16,19,21,24-25,27,30-31,33,35,59H,4-11,13-14,17-18,20,22-23,26,28-29,32,34,36-58H2,1-3H3/b15-12-,19-16-,24-21-,27-25-,31-30-,35-33-/t59-/m0/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C62H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-28-26-23-20-17-14-11-8-5-2/h12,15-16,19,21,24-25,27,30-31,33,35,59H,4-11,13-14,17-18,20,22-23,26,28-29,32,34,36-58H2,1-3H3/b15-12-,19-16-,24-21-,27-25-,31-30-,35-33-/t59-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:63])[O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:34][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65] |
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