| Properties | Image |
MNX_ID | MNXM178568 |
 |
reference | slm:000127653 |
formula | C47H82O6 |
global charge | 0 |
mol weight | 743.167 |
InChIKey | VWHMXNVTFOTSLA-JVSMZPRASA-N |
InChI | InChI=1S/C47H82O6/c1-4-7-10-13-16-19-21-23-25-28-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-27-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-24-22-20-17-14-11-8-5-2/h10-11,13-14,19-22,44H,4-9,12,15-18,23-43H2,1-3H3/b13-10-,14-11-,21-19-,22-20- |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)OC(=O)CCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C47H82O6/c1-4-7-10-13-16-19-21-23-25-28-30-33-36-39-45(48)51-42-44(53-47(50)41-38-35-32-27-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-24-22-20-17-14-11-8-5-2/h10-11,13-14,19-22,44H,4-9,12,15-18,23-43H2,1-3H3/b13-10-,14-11-,21-19-,22-20- |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7]/[CH:10]=[CH:13]\[CH2:16]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][C:45](=[O:48])[O:51][CH2:42][CH:44]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:49])[O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:27][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:50] |
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