| Properties | Image |
MNX_ID | MNXM178690 |
 |
reference | slm:000127769 |
formula | C47H84O6 |
global charge | 0 |
mol weight | 745.183 |
InChIKey | NYNAFGKPLZIZSB-CLFXDZDXSA-N |
InChI | InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14-15,17-18,26,29,44H,4-13,16,19-25,27-28,30-43H2,1-3H3/b17-14-,18-15-,29-26- |
SMILES | CCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCC/C=C\CCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C47H84O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14-15,17-18,26,29,44H,4-13,16,19-25,27-28,30-43H2,1-3H3/b17-14-,18-15-,29-26- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:23]/[CH:26]=[CH:29]\[CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH:44]([CH2:42][O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:48])[CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:25][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:49] |
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