| Properties | Image |
MNX_ID | MNXM178747 |
 |
reference | slm:000130432 |
formula | C49H84O6 |
global charge | 0 |
mol weight | 769.205 |
InChIKey | LMTJNQOMIWUWHP-NKKHRIETSA-N |
InChI | InChI=1S/C49H84O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-18-15-12-9-6-3/h16,19,21-22,24-25,27-28,34,37,46H,4-15,17-18,20,23,26,29-33,35-36,38-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-,37-34- |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C49H84O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-18-15-12-9-6-3/h16,19,21-22,24-25,27-28,34,37,46H,4-15,17-18,20,23,26,29-33,35-36,38-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-,37-34- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:31]/[CH:34]=[CH:37]\[CH2:40][CH2:43][C:49](=[O:52])[O:55][CH:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51] |
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