| Properties | Image |
MNX_ID | MNXM178577 |
 |
reference | slm:000132698 |
formula | C50H88O6 |
global charge | 0 |
mol weight | 785.248 |
InChIKey | JGTWRTZNSAAGDE-PZJUVPHKSA-N |
InChI | InChI=1S/C50H88O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h10-11,13-14,19-20,22-23,47H,4-9,12,15-18,21,24-46H2,1-3H3/b13-10-,14-11-,22-19-,23-20- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C50H88O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h10-11,13-14,19-20,22-23,47H,4-9,12,15-18,21,24-46H2,1-3H3/b13-10-,14-11-,22-19-,23-20- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7]/[CH:10]=[CH:13]\[CH2:16]/[CH:19]=[CH:22]\[CH2:25][CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][CH:47]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:52])[O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53] |
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