| Properties | Image |
MNX_ID | MNXM178563 |
 |
reference | slm:000142894 |
formula | C53H90O6 |
global charge | 0 |
mol weight | 823.297 |
InChIKey | MRKGLSHBGQGELR-SNZSSVTDSA-N |
InChI | InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h11-12,14-16,19-21,23-26,50H,4-10,13,17-18,22,27-49H2,1-3H3/b14-11-,15-12-,19-16-,23-20-,24-21-,26-25- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
InChI (mnx) | InChI=1/C53H90O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h11-12,14-16,19-21,23-26,50H,4-10,13,17-18,22,27-49H2,1-3H3/b14-11-,15-12-,19-16-,23-20-,24-21-,26-25- |
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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:26]\[CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:55] |
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